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 |