| 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 | NSLS BEAMLINE X12C |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | NSLS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | X12C |
Temperature [K] _diffrn.ambient_temp | 273.0 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 1994-06-21 |
Detector _diffrn_detector.type | BRANDEIS |
| Software | |
Data reduction _software.classification | DENZO |
Phasing _software.classification | AMoRE |
Refinement _software.classification | X-PLOR (3.2) |
| 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} | 25.57 45.34 27.62 90.0 104.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.15000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 10.000 |
High resolution limit [Å] _reflns.d_resolution_high | 1.600 |
Rmerge _reflns.pdbx_Rsym_value | 6.300 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 10525 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 93.4 |
Multiplicity _reflns.pdbx_redundancy | 2.3 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1CM3 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1999-05-13 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 10.0 - 1.600 Å |
R _refine.ls_R_factor_obs | 0.1910 |
Rwork _refine.ls_R_factor_R_work | 0.1910 WARNING: no Rfree given? |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | WILD TYPE E. COLI HPR |