| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | LURE BEAMLINE DW21B |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | LURE |
Beamline _diffrn_source.pdbx_synchrotron_beamline | DW21B |
Temperature [K] _diffrn.ambient_temp | 295 |
Detector technology _diffrn_detector.detector | 'BLACK BOX' PROTOTYPE IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1995-07-14 |
Detector _diffrn_detector.type | J.HENDRIX,A.LENTFER |
| Software | |
Data reduction _software.classification | MOSFLM |
Data scaling #1 _software.classification | SCALA (CCP4) |
Data scaling #2 _software.classification | CCP4 (SCALA) |
Phasing _software.classification | SHARP |
Refinement _software.classification | PROLSQ |
| 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} | 51.637 57.973 75.320 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.86300 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 30.400 | 1.970 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.870 | 1.870 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.022 | 0.050 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 17752 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 121.00 | 63.90 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 92.9 | 78.6 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 4.2 | 3.9 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1LVY |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1996-07-20 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 10.0 - 1.870 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1870 / 0.2290 |
Structure solution method _refine.pdbx_method_to_determine_struct | SIRAS |
Starting model _refine.pdbx_starting_model | PDB ENTRY 3EST |