7VVI
OXA-58 crystal structure of acylated meropenem complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-22 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | H 3 |
Unit cell lengths | 75.380, 75.380, 119.531 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.290 - 1.400 |
R-factor | 0.1583 |
Rwork | 0.145 |
R-free | 0.14860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5boh |
RMSD bond length | 0.011 |
RMSD bond angle | 1.427 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.290 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.734 | 0.776 |
Rmeas | 0.845 | |
Rpim | 0.296 | 0.323 |
Number of reflections | 685938 | 66353 |
<I/σ(I)> | 158.17 | 18.01 |
Completeness [%] | 99.5 | 99.37 |
Redundancy | 6.9 | 6.7 |
CC(1/2) | 0.628 | 0.132 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | LiSO4, HEPES-Na, Meropenem soaking |