5LS3
Crystal structure of metallo-beta-lactamase SPM-1 with Y58C mutation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-07 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.96862 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 59.886, 59.886, 276.115 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.263 - 1.754 |
R-factor | 0.1668 |
Rwork | 0.166 |
R-free | 0.18400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bp0 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.159 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.263 | 1.790 |
High resolution limit [Å] | 1.750 | 1.750 |
Rpim | 0.020 | 0.205 |
Number of reflections | 50459 | |
<I/σ(I)> | 32.2 | 5.1 |
Completeness [%] | 97.9 | 86.8 |
Redundancy | 25 | 24.1 |
CC(1/2) | 1.000 | 0.895 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291.15 | 0.1 M mixture of HEPES and MOPS pH7.5, 0.03 M NaF, 0.03 M NaI, 0.03 M NaB, 12% PEG3350, 12% PEG1000, 12% 2-methyl-2,4-pentanediol |