3T9M
Crystal structure of 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 | 2009-05-26 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.605, 64.639, 67.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.290 - 2.030 |
| R-factor | 0.181 |
| Rwork | 0.179 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x8g |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.217 |
| 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] | 19.290 | 2.140 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Number of reflections | 14341 | |
| <I/σ(I)> | 16.7 | 4.9 |
| Completeness [%] | 97.5 | 98.2 |
| Redundancy | 3.2 | 3.1 |
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, 100 nM zinc chloride, 1 mM EDTA, pH 4.6, VAPOR DIFFUSION, temperature 277K |
