| 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 | SLS BEAMLINE X10SA |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SLS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | X10SA |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2015-06-15 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M-F |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.800 |
| Software | |
Data reduction _software.classification | XDS (Oct 15, 2015 BUILT=20151231) |
Data scaling _software.classification | XDS (Oct 15, 2015 BUILT=20151231) |
Phasing _software.classification | PHASER (2.5.7) |
Refinement _software.classification | PHENIX (1.12_2829) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 24.14 53.78 50.29 90.000 100.336 90.000 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.80000 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 26.890 | 26.890 | 1.000 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 0.850 | 25.000 | 0.850 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.038 | 0.050 | 0.265 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.042 | 0.061 | 0.300 |
| Rpim | - | - | - |
Total number of observations _reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs | 482856 | 3 | 91743 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 89042 | 1 | 21038 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 20.03 | 35.51 | 4.46 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 80.3 | 33.3 | 49.4 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 5.4 | 3.0 | 4.4 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.999 | - | 0.937 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5LP9 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2016-08-12 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 26.9 - 0.886 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1100 / 0.1262 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 2M5G model 1 |