| 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 | ELLIOTT GX-21 |
Temperature [K] _diffrn.ambient_temp | 293 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1988-04-28 |
Detector _diffrn_detector.type | XENTRONICS |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.5418 |
| Software | |
Data reduction _software.classification | X-GEN |
Data scaling _software.classification | X-GEN |
Model building _software.classification | FRODO |
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} | 76.91 67.28 38.49 90.00 93.07 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 25.000 | 1.810 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.700 | 1.700 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.050 | 0.224 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 34713 | 2894 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 21.26 | 2.15 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 81.8 | 41.1 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 3.3 | 2.3 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1IA1 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2001-03-22 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 10.0 - 1.700 Å |
R _refine.ls_R_factor_obs | 0.1560 |
Rwork _refine.ls_R_factor_R_work | 0.1560 WARNING: no Rfree given? |
Structure solution method _refine.pdbx_method_to_determine_struct | DIRECT REPLACEMENT |
Starting model _refine.pdbx_starting_model | Candida albicans DHFR NADPH complex (1AI9) |