5HX9
Crystal structure of Beta-lactamase from Burkholderia vietnamiensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-01-20 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.500, 63.310, 99.180 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.040 - 1.800 |
R-factor | 0.1567 |
Rwork | 0.153 |
R-free | 0.19500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w4q |
RMSD bond length | 0.009 |
RMSD bond angle | 0.927 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | PHENIX (dev_2299) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.040 | 1.850 | |
High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
Rmerge | 0.053 | 0.022 | 0.524 |
Rmeas | 0.056 | 0.023 | 0.576 |
Total number of observations | 240692 | ||
Number of reflections | 24922 | 330 | 1809 |
<I/σ(I)> | 30.59 | 95.61 | 3.56 |
Completeness [%] | 100.0 | 99.4 | 99.9 |
Redundancy | 9.7 | ||
CC(1/2) | 0.999 | 1.000 | 0.896 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | Morpheus Screen E8: 0.12 M Ethylene Glycols (equimolar mix of di- tri- tetra- and penta-ethylene glycol) 0.1M Buffer System 2 pH 7.5 (Na Hepes and MOPS acid), 50% Precipitant mix 4 (25% MPD, 25% PEG1000, 25% PEG3350); BuamA.00078.a.B1.PS02512 at 52.5 mg/ml |