3SW3
EDTA-free crystal structure of the mutant C221D of carbapenemase CphA from Aeromonas hydrophila
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-07-09 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.622, 65.021, 67.272 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.610 - 2.350 |
| R-factor | 0.192 |
| Rwork | 0.189 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x8g |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.707 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.610 | 2.480 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Number of reflections | 9845 | |
| <I/σ(I)> | 16.3 | 5.2 |
| Completeness [%] | 99.6 | 98.6 |
| Redundancy | 4.3 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 277 | 0.05 M sodium acetate, 0.05 M potassium phosphate monobasic, 20% PEG8000, 2 mM zinc chloride, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
