| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | MAD |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | SSRL BEAMLINE BL14-1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SSRL |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL14-1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2015-02-03 |
Detector _diffrn_detector.type | MARMOSAIC 325 mm CCD |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.95369,0.97937,0.97913 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XSCALE (November 3, 2014 BUILT=20141118) |
Phasing #1 _software.classification | SHELX |
Phasing #2 _software.classification | SHARP |
Phasing #3 _software.classification | SHELXD |
Refinement _software.classification | BUSTER (2.10.2) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 63.12 64.02 98.98 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.953690.979370.97913 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 29.328 | 29.328 | 2.330 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.250 | 4.830 | 2.250 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.092 | 0.037 | 0.485 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.124 | 0.051 | 0.661 |
| Rpim | - | - | - |
Total number of observations _reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs | 67264 | 7131 | 4349 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 19266 | 3634 | 2641 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 7.14 | 16.00 | 1.50 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 95.2 | 97.0 | 73.1 |
Multiplicity _reflns.pdbx_redundancy | 1.9 | - | - |
| CC(1/2) | - | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 4ZYS |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2015-05-22 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 29.3 - 2.250 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1905 / 0.2404 |
Structure solution method _refine.pdbx_method_to_determine_struct | MAD |