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 |