| 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 | SRS |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SRS |
Temperature [K] _diffrn.ambient_temp | 150.0 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2000-07-15 |
Detector _diffrn_detector.type | BRUKER AXS |
| Software | |
Data reduction _software.classification | SAINT |
Data scaling _software.classification | SADABS |
Phasing _software.classification | SHELX |
Refinement _software.classification | SHELXL-97 |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 65 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 32.092 32.092 14.669 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.68870 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 10.910 | 0.870 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 0.750 | 0.750 |
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value | 0.061 | 0.264 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 21312 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 19.65 | 2.07 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 97.9 | 96.3 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 6.0 | 3.3 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1HJE |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2001-01-15 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 10.9 - 0.750 Å |
R _refine.ls_R_factor_obs | 0.1270 WARNING: neither Rwork nor Rfree given |
Structure solution method _refine.pdbx_method_to_determine_struct | DIRECT METHODS |