| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | ALS BEAMLINE 8.2.2 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ALS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 8.2.2 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2012-09-19 |
Detector _diffrn_detector.type | ADSC QUANTUM 315 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XSCALE (July 4, 2012; Wolfgang Kabsch) |
Phasing _software.classification | PHASER (2.3.0; Randy J. Read; cimr-phaser@lists.cam.ac.uk) |
Model building _software.classification | MolProbity (3beta29; D.C. & J.S. Richardson lab; molprobity@kinemage.biochem.duke.edu) |
Refinement _software.classification | REFMAC (5.7.0032; Garib N. Murshudov; garib@ysbl.york.ac.uk) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | H 3 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 84.282 84.282 311.823 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.99995 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 47.414 | 47.410 | 1.940 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.890 | 8.450 | 1.890 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.069 | 0.025 | 0.885 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.073 | 0.026 | 0.953 |
Rpim _reflns_shell.pdbx_Rpim_I_all | - | 0.008 | 0.350 |
Total number of observations _reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs | 362385 | 4172 | 17891 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 34715 | 450 | 2486 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 19.50 | 51.70 | 2.50 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 99.9 | 99.3 | 98.8 |
Multiplicity _reflns_shell.pdbx_redundancy | - | 9.3 | 7.2 |
| CC(1/2) | - | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 4N3V |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2013-10-07 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 47.4 - 1.890 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1879 / 0.2183 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 4L8P |