| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | RIGAKU RU300 |
Temperature [K] _diffrn.ambient_temp | 295 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1992-05-15 |
Detector _diffrn_detector.type | XUONG-HAMLIN MULTIWIRE |
| Software | |
Data collection _software.classification | UCSD-system |
Data reduction _software.classification | UCSD-system |
Data scaling _software.classification | UCSD-system |
Phasing #1 _software.classification | MERLOT |
Phasing #2 _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 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 96.08 114.72 49.53 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 24.000 |
High resolution limit [Å] _reflns.d_resolution_high | 2.800 |
Rmerge _reflns.pdbx_Rsym_value | 0.076 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 12923 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 7.50 |
Completeness [%] _reflns.percent_possible_obs | 91.9 |
Multiplicity _reflns.pdbx_redundancy | 3.4 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 2F58 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1998-10-23 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 24.0 - 2.800 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1850 / 0.3050 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | FAB 58.2 PORTION OF FAB 58.2/SER-LOOP PEPTIDE COMPLEX |