| 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 8.2.1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ALS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 8.2.1 |
Temperature [K] _diffrn.ambient_temp | 88 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2014-12-03 |
Detector _diffrn_detector.type | ADSC QUANTUM 315r |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.0 |
| Software | |
Data reduction _software.classification | HKL-2000 |
Data scaling _software.classification | HKL-2000 |
Phasing _software.classification | PHASER |
Refinement _software.classification | PHENIX |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 68.924 78.100 120.502 90.00 102.32 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.00000 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 47.007 | 50.000 | 2.540 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.511 | 6.780 | 2.500 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.172 | - | - |
| Rmeas | - | - | - |
Rpim _reflns_shell.pdbx_Rpim_I_all | - | 0.036 | 0.368 |
| Total number of observations | - | - | - |
Total number unique _reflns.number_obs | 41678 | - | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 25.20 | - | - |
Completeness [%] _reflns.percent_possible_obs | 100.0 | - | - |
Multiplicity _reflns.pdbx_redundancy | 5.2 | - | - |
CC(1/2) _reflns_shell.pdbx_CC_half | - | 0.995 | 0.819 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 4ZR6 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2015-05-11 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 44.3 - 2.600 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2101 / 0.2660 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | PDB entries 4ZJT & 4ZK1 |