| 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 | APS BEAMLINE 21-ID-D |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 21-ID-D |
Temperature [K] _diffrn.ambient_temp | 110 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 2014-06-16 |
Detector _diffrn_detector.type | MAR scanner 300 mm plate |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.0383 |
| Software | |
Data scaling #1 _software.classification | SCALEPACK |
Data scaling #2 _software.classification | HKL-2000 |
Phasing _software.classification | PHASER (2.5.6) |
Model building _software.classification | Coot |
Refinement _software.classification | REFMAC (5.8.0073) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 1 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 173.946 95.881 112.898 90.00 94.31 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.03830 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 30.000 | 30.000 | 2.640 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.600 | 7.030 | 2.600 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.125 | 0.048 | 0.585 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.146 | 0.056 | 0.687 |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.075 | 0.030 | 0.358 |
Total number of observations _reflns.pdbx_number_measured_all | 211145 | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 56869 | 2915 | 2750 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 7.60 | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 99.8 | 99.4 | 97.6 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 3.7 | 3.4 | 3.6 |
CC(1/2) _reflns_shell.pdbx_CC_half | - | 0.996 | 0.715 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5DO9 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2015-09-10 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 30.0 - 2.600 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1780 / 0.2255 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | WARNING: no starting model (for MR) given |