| 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 RU200 |
Temperature [K] _diffrn.ambient_temp | 293 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1987-11 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.5418 |
| Software | |
Data reduction #1 _software.classification | ROTAVATA |
Data reduction #2 _software.classification | Agrovata |
Data scaling #1 _software.classification | CCP4 (AGROVATA |
Data scaling #2 _software.classification | ROTAVATA |
Phasing _software.classification | AMoRE |
Refinement _software.classification | PROFFT |
| 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} | 75.11 77.65 96.75 90.0 111.8 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 13.700 |
High resolution limit [Å] _reflns.d_resolution_high | 2.500 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.076 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 33526 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 97.0 |
Multiplicity _reflns.pdbx_redundancy | 2.8 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1CIC |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1999-03-31 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 7.0 - 2.500 Å |
Rwork _refine.ls_R_factor_R_work | 0.1790 WARNING: no Rfree given (but Rwork)!? |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | FAB D1.3 |