1GS3
High resolution crystal structure of PI delta-5-3-Ketosteroid Isomerase mutants Y30F/Y55F/Y115F/D38N (Y32F/Y57F/Y119F/D40N, PI numbering)complexed with equilenin at 2.1 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE M18X |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Detector | MACSCIENCE |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 36.319, 96.237, 74.431 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| R-factor | 0.2129 |
| Rwork | 0.213 |
| R-free | 0.27530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1E3N |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.251 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 121141 | |
| <I/σ(I)> | 8.4 | 2.6 |
| Completeness [%] | 92.4 | 90.2 |
| Redundancy | 3 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | pH 4.60 |
