2GKL
Crystal structure of the zinc carbapenemase CPHA in complex with the inhibitor pyridine-2,4-dicarboxylate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-10-18 |
Detector | MARRESEARCH |
Wavelength(s) | 1.54179 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 42.638, 101.211, 117.121 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.900 - 1.860 |
R-factor | 0.16084 |
Rwork | 0.159 |
R-free | 0.19617 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1x8h |
RMSD bond length | 0.013 |
RMSD bond angle | 1.365 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CCP4 |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.910 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.070 | 0.179 |
Number of reflections | 21647 | |
<I/σ(I)> | 7.4 | 4.1 |
Completeness [%] | 99.4 | 97.3 |
Redundancy | 6.4 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 280 | PEG, AS, pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 280K |