3BYD
Crystal structure of beta-lactamase OXY-1-1 from Klebsiella oxytoca
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2000-09-19 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.0292 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.545, 73.431, 84.561 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.470 - 1.930 |
R-factor | 0.184 |
Rwork | 0.182 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bza |
RMSD bond length | 0.012 |
RMSD bond angle | 1.236 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.000 | 2.000 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.052 | 0.129 |
Number of reflections | 21787 | |
<I/σ(I)> | 14.8 | |
Completeness [%] | 96.9 | 96.1 |
Redundancy | 4.6 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 296 | 25%(w/v) PEG 4000, 0.1M sodium acetate buffer, 0.2M ammonium sulfate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K |