| 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 | 2017-06-10 |
Detector _diffrn_detector.type | MARMOSAIC 325 mm CCD |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.28149, 0.98397, 1.28268 |
| Software | |
Data reduction _software.classification | XDS (vJan26, 2018) |
Data scaling _software.classification | Aimless (0.7.1) |
Phasing _software.classification | SOLVE (2.13) |
Refinement _software.classification | REFMAC (5.8.0222) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 86.102 141.768 42.496 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.281490.983971.28268 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 73.590 | 73.590 | 2.650 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.510 | 7.940 | 2.510 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.103 | 0.035 | 0.964 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.107 | 0.036 | 1.025 |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.029 | 0.010 | 0.341 |
Total number of observations _reflns.pdbx_number_measured_all _reflns_shell.number_measured_all | 207845 | 8251 | 11600 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 16179 | 683 | 1324 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs | 21.80 | 55.80 | 2.30 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 87.1 | 99.9 | 50.4 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 12.8 | 12.1 | 8.8 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.999 | 0.999 | 0.920 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7UI4 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2022-03-28 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 54.8 - 2.510 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1298 / 0.1785 |
Structure solution method _refine.pdbx_method_to_determine_struct | MAD |