| 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 | 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 | 2014-12-06 |
Detector _diffrn_detector.type | MARMOSAIC 325 mm CCD |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97952 |
| Software | |
Data scaling #1 _software.classification | XDS (November 3, 2014 BUILT=20141118) |
Data scaling #2 _software.classification | XSCALE |
Phasing #1 _software.classification | SHELX |
Phasing #2 _software.classification | SHARP |
Phasing #3 _software.classification | SHELXD |
Refinement _software.classification | REFMAC (5.8.0103) |
| 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} | 37.429 49.416 82.905 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97952 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 23.679 | 23.679 | 1.450 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.400 | 3.010 | 1.400 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.030 | 0.018 | 0.946 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.038 | 0.023 | 1.187 |
| Rpim | - | - | - |
Total number of observations _reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs | 145154 | 14249 | 14061 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 30788 | 5581 | 5650 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 15.62 | 43.50 | 1.40 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 98.3 | 94.1 | 96.6 |
Multiplicity _reflns.pdbx_redundancy | 6.2 | - | - |
| CC(1/2) | - | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 4YME |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2015-03-06 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 23.7 - 1.400 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1827 / 0.2048 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |