3X2X
Crystal structure of metallo-beta-lactamase H48A from Thermotoga maritima
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-20 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 143.164, 143.164, 149.472 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.060 - 3.420 |
R-factor | 0.17677 |
Rwork | 0.173 |
R-free | 0.20913 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.894 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.360 |
High resolution limit [Å] | 3.300 | 3.300 |
Number of reflections | 23779 | |
Completeness [%] | 98.8 | 99.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 0.1M Tris-HCl, 60% 2-Methyl-2,4-pentanediol(MPD), pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |