4EXS
Crystal structure of NDM-1 bound to L-captopril
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-11-22 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 107.120, 107.120, 92.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.710 - 2.400 |
| R-factor | 0.19252 |
| Rwork | 0.190 |
| R-free | 0.24114 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3Q6X |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.470 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.710 | 2.590 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 21474 | |
| <I/σ(I)> | 6.9 | |
| Completeness [%] | 99.0 | 99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 10%w/v peg 8K, 8%v/v ethylene glycol, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
