5FDH
CRYSTAL STRUCTURE OF OXA-405 BETA-LACTAMASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-07-30 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54187 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 90.400, 90.400, 172.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 13.120 - 2.260 |
| R-factor | 0.1765 |
| Rwork | 0.175 |
| R-free | 0.21330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4s2p |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.100 |
| Data reduction software | MOSFLM (1.0.7) |
| Data scaling software | XSCALE (2014) |
| Phasing software | MOLREP (11.2.05) |
| Refinement software | BUSTER (2.10.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 13.120 | 2.400 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Rmerge | 0.430 | |
| Number of reflections | 33544 | |
| <I/σ(I)> | 18.9 | 4.6 |
| Completeness [%] | 98.2 | 90.3 |
| Redundancy | 8.8 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M sodium fluoride, 2.2 M ammonium sulfate |
