1NRF
C-terminal domain of the Bacillus licheniformis BlaR penicillin-receptor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-09-07 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9786 |
Spacegroup name | P 41 |
Unit cell lengths | 45.848, 45.848, 130.198 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.500 * - 2.500 |
Rwork | 0.204 |
R-free | 0.25700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Class D beta-lactamase OXA-2 from Salmonella typhimurium |
RMSD bond length | 0.007 |
RMSD bond angle | 23.100 * |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.440 * | 2.500 |
High resolution limit [Å] | 2.440 | 2.440 |
Rmerge | 0.068 * | 0.232 |
Number of reflections | 9979 | 745 * |
<I/σ(I)> | 8.9 | 3.7 |
Completeness [%] | 99.7 | 99.9 * |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.95 | 293 | 18% PEG 8000, 5% Glycerol, 50mM CaCl2 in 0.1M Cacodylate, pH 6.95, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 20 (mg/ml) | |
2 | 1 | reservoir | PEG8000 | 18 (%) | |
3 | 1 | reservoir | glycerol | 5 (%) | |
4 | 1 | reservoir | 50 (mM) | ||
5 | 1 | reservoir | cacodylate | 0.1 (M) | pH6.95 |