| 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 | ESRF BEAMLINE ID14-3 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | ID14-3 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 1999-06-01 |
Detector _diffrn_detector.type | MARRESEARCH |
| Software | |
Data reduction #1 _software.classification | MOSFLM |
Data reduction #2 _software.classification | XDS |
Data scaling _software.classification | XDS |
Phasing _software.classification | X-PLOR |
Model building _software.classification | X-PLOR |
Refinement _software.classification | X-PLOR (3.851) |
| 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} | 69.9 81.2 125.9 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.93000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 99.000 |
High resolution limit [Å] _reflns.d_resolution_high | 1.870 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.050 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 58300 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 98.7 |
| Multiplicity | - |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 2AER |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2005-07-23 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 1.870 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1910 / 0.2560 |
Structure solution method _refine.pdbx_method_to_determine_struct | Isomorphous Replacement |
Starting model _refine.pdbx_starting_model | PDB Code: 1DAN |