2WGI
Crystal structure of the acyl-enzyme OXA-10 W154A-benzylpenicillin at pH 6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-03-18 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.800, 93.100, 127.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 13.650 - 2.850 |
| R-factor | 0.19492 |
| Rwork | 0.192 |
| R-free | 0.26227 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k4f |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.490 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.570 | 3.000 |
| High resolution limit [Å] | 2.790 | 2.850 |
| Rmerge | 0.120 | 0.680 |
| Number of reflections | 14053 | |
| <I/σ(I)> | 15.1 | 3 |
| Completeness [%] | 99.0 | 99.8 |
| Redundancy | 6.9 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 2.2 M AS, BUFFER BICINE 0.1 M PH 9 SOAKING 2.2 M AS, BUFFER MES 0.1 M PH 6 |
