3FAI
The Di Zinc Carbapenemase CphA N220G mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-03-10 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 42.680, 101.060, 116.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.600 - 1.700 |
R-factor | 0.13991 |
Rwork | 0.139 |
R-free | 0.16024 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1x8g |
RMSD bond length | 0.011 |
RMSD bond angle | 1.550 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.600 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.032 | 0.075 |
Number of reflections | 28035 | |
<I/σ(I)> | 42.1 | 25.6 |
Completeness [%] | 99.7 | 98.8 |
Redundancy | 7.4 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 2.4M (NH4)2SO4, 100mM MES, 100mM ZnCl2, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |