4K0X
X-ray Crystal Structure of OXA-23 from Acinetobacter baumannii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-12-17 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.1 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 44.000, 46.539, 136.852 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.690 - 1.610 |
R-factor | 0.16546 |
Rwork | 0.164 |
R-free | 0.19188 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.574 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.690 | 1.670 |
High resolution limit [Å] | 1.610 | 1.610 |
Rmerge | 0.072 | 0.410 |
Number of reflections | 35200 | |
<I/σ(I)> | 14.8 | 5.3 |
Completeness [%] | 99.9 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 296 | 5% w/v PGA-LM, 30% v/v PEG 550MME,0.1M Sodium acetate, OXA-23 in 50 mM sodium phosphate, VAPOR DIFFUSION, HANGING DROP, temperature 296K |