4RM5
Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-06-21 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.100, 68.120, 68.910 |
| Unit cell angles | 87.62, 88.34, 77.42 |
Refinement procedure
| Resolution | 35.015 - 2.100 |
| R-factor | 0.1606 |
| Rwork | 0.159 |
| R-free | 0.19220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3Q6X |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.844 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.015 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 51357 | |
| Completeness [%] | 99.9 | 91.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 27% (w/v) PEG3350, 0.1 M Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
