| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE CRYSTAL |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | ELLIOTT GX-3 |
Temperature [K] _diffrn.ambient_temp | 285 |
Detector technology _diffrn_detector.detector | FILM |
Collection date _diffrn_detector.pdbx_collection_date | 1980 |
Detector _diffrn_detector.type | KODAK |
| Software | |
Data reduction _software.classification | VENUS |
Data scaling _software.classification | ODPROC |
Refinement #1 _software.classification | TNT |
Refinement #2 _software.classification | PROLSQ |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 61 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 94.2 94.2 131.4 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 26.600 |
High resolution limit [Å] _reflns.d_resolution_high | 2.300 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.026 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 12029 |
| <I/σ(I)> | - |
| Completeness [%] | - |
| Multiplicity | - |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 4TLN |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1982-02-08 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 10.0 - 2.300 Å |
R _refine.ls_R_factor_obs | 0.1690 WARNING: neither Rwork nor Rfree given |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR SUBSTATUTION |