4FR7
Crystal structure of the metallo-beta-lactamase VIM-31 in its reduced form at 1.61 A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-05-07 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 64.600, 74.390, 78.720 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.068 - 1.610 |
R-factor | 0.1493 |
Rwork | 0.147 |
R-free | 0.18560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ko3 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.312 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 54.068 | 30.631 | 1.690 |
High resolution limit [Å] | 1.610 | 5.070 | 1.600 |
Rmerge | 0.032 | 0.404 | |
Total number of observations | 4116 | 14354 | |
Number of reflections | 24650 | ||
<I/σ(I)> | 15.5 | 19 | 1.9 |
Completeness [%] | 97.9 | 96.2 | 87.5 |
Redundancy | 4.9 | 4.9 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 296 | VIM-31 (17 mg/ml) 1:1 dilution with the condition 0.3 M sodium acetate, 0.1 M Tris-HCl pH 8.5, 20 % PEG4000 1.0 mM TCEP, VAPOR DIFFUSION, SITTING DROP, temperature 296K |