| 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 | DIAMOND BEAMLINE I04 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | Diamond |
Beamline _diffrn_source.pdbx_synchrotron_beamline | I04 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2010-05-10 |
Detector _diffrn_detector.type | ADSC QUANTUM 315 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97630 |
| Software | |
Data reduction #1 _software.classification | xia2 |
Data reduction #2 _software.classification | XDS |
Data scaling _software.classification | Aimless |
Phasing _software.classification | CRANK2 |
Model building #1 _software.classification | Coot |
Model building #2 _software.classification | MolProbity |
Refinement #1 _software.classification | REFMAC (5.8.0352) |
Refinement #2 _software.classification | REFMAC (5.8.0352) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 41 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 175.50 175.50 214.53 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97630 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 73.710 | 2.350 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.300 | 2.300 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.160 | - |
Rmeas _reflns.pdbx_Rrim_I_all | 0.188 | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.097 | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 73764 | 4314 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 9.40 | - |
Completeness [%] _reflns.percent_possible_obs | 99.6 | - |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 6.9 | 4.3 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.995 | 0.549 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7ZNS |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2022-04-21 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 73.7 - 2.300 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2157 / 0.2537 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |