5HFO
CRYSTAL STRUCTURE OF OXA-232 BETA-LACTAMASE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-05-03 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54187 |
Spacegroup name | P 62 |
Unit cell lengths | 144.080, 144.080, 53.130 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 17.200 - 2.210 |
R-factor | 0.1738 |
Rwork | 0.172 |
R-free | 0.20790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hbr |
RMSD bond length | 0.010 |
RMSD bond angle | 1.030 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | BUSTER-TNT (BUSTER 2.10.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 17.200 | 2.360 |
High resolution limit [Å] | 2.210 | 2.210 |
Rmerge | 0.134 | 0.527 |
Number of reflections | 30557 | |
<I/σ(I)> | 13.8 | 4.1 |
Completeness [%] | 97.6 | 90.5 |
Redundancy | 7 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2 M LITHIUM SULFATE, 0.1 M TRIS PH 8.5, 30 %(W/V) PEG 3000 |