4GZB
Crystal structure of native AmpC beta-lactamase from Pseudomonas aeruginosa PAO1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9360 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 83.060, 83.060, 122.420 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.510 - 1.790 |
R-factor | 0.19296 |
Rwork | 0.190 |
R-free | 0.24384 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ke4 |
RMSD bond length | 0.023 |
RMSD bond angle | 2.029 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.617 | 1.890 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.062 | 0.374 |
Number of reflections | 38317 | |
<I/σ(I)> | 8.7 | 1.8 |
Completeness [%] | 83.3 | 82.7 |
Redundancy | 2.1 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1M Tris, 20% PEG 8000, O.1M K2HPO4, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |