3X2Z
Crystal structure of metallo-beta-lactamase in complex with nickel from Thermotoga maritima
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-11-07 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 143.538, 143.538, 149.853 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.070 - 2.330 |
R-factor | 0.19118 |
Rwork | 0.191 |
R-free | 0.20508 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.877 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CCP4 |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.370 |
High resolution limit [Å] | 2.330 | 2.330 |
Rmerge | 0.526 | |
Number of reflections | 66863 | |
<I/σ(I)> | 7.633 | |
Completeness [%] | 99.9 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 295 | 55% 2-Methyl-2,4-pentanediol(MPD), pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K |