| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | APS BEAMLINE 19-ID |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 19-ID |
Temperature [K] _diffrn.ambient_temp | 110 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 1996-05-23 |
Detector _diffrn_detector.type | CUSTOM-MADE |
| Software | |
Data reduction _software.classification | MADNES |
Data scaling _software.classification | MADNES |
Phasing #1 _software.classification | MADSYS |
Phasing #2 _software.classification | X-PLOR (3.1) |
Model building _software.classification | X-PLOR (3.1) |
Refinement _software.classification | X-PLOR (3.1) |
| 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} | 50.6 50.6 268.0 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.96390 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 8.000 |
High resolution limit [Å] _reflns.d_resolution_high | 1.700 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.039 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 30590 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 68.2 |
Multiplicity _reflns.pdbx_redundancy | 3.0 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 2FIT |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-05-17 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 1.900 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2220 / 0.2490 |
Structure solution method _refine.pdbx_method_to_determine_struct | MAD |