5AXO
Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Meropenem
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AichiSR BEAMLINE BL2S1 |
Synchrotron site | AichiSR |
Beamline | BL2S1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-03-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.12 |
Spacegroup name | P 1 |
Unit cell lengths | 36.900, 41.170, 45.320 |
Unit cell angles | 107.95, 102.46, 106.85 |
Refinement procedure
Resolution | 40.620 - 1.390 |
R-factor | 0.13839 |
Rwork | 0.137 |
R-free | 0.16313 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vpe |
RMSD bond length | 0.012 |
RMSD bond angle | 1.562 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.620 | 1.470 |
High resolution limit [Å] | 1.390 | 1.390 |
Rmerge | 0.046 | 0.063 |
Number of reflections | 39458 | |
<I/σ(I)> | 11.2 | 1.9 |
Completeness [%] | 86.2 | 86 |
Redundancy | 1.9 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 4000, Lithium sulfate, Tris-Hydrochloride |