| 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 22-ID |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 22-ID |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2016-10-18 |
Detector _diffrn_detector.type | MARMOSAIC 300 mm CCD |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97933 |
| Software | |
Data reduction _software.classification | XDS (VERSION May 1, 2016 BUILT=20160617) |
Data scaling _software.classification | XSCALE (VERSION May 1, 2016 BUILT=20160617) |
Phasing _software.classification | PHASER (2.7.12) |
Refinement _software.classification | PHENIX (dev_2481) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 65 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 122.97 122.97 163.73 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97933 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 61.485 | 61.485 | 2.710 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.640 | 11.800 | 2.640 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.084 | 0.023 | 0.931 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.101 | - | - |
| Rpim | - | - | - |
Total number of observations _reflns.pdbx_number_measured_all | 131043 | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 40496 | - | 2939 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 11.69 | 32.39 | 1.23 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 99.4 | 95.9 | 98.3 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 3.2 | 3.1 | 3.1 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.997 | 0.999 | 0.477 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5UDM |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2016-12-27 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 61.5 - 2.640 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2101 / 0.2375 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |