9BZN
High resolution structure of class A Beta-lactamase from Bordetella bronchiseptica RB50
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-18 |
Detector | DECTRIS PILATUS3 X 6M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 36.064, 79.549, 42.891 |
Unit cell angles | 90.00, 108.28, 90.00 |
Refinement procedure
Resolution | 31.450 - 1.050 |
R-factor | 0.128 |
Rwork | 0.127 |
R-free | 0.14090 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.835 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.070 |
High resolution limit [Å] | 1.050 | 1.050 |
Rmerge | 0.087 | 0.352 |
Rpim | 0.033 | 0.137 |
Number of reflections | 97955 | 3838 |
<I/σ(I)> | 23.85 | 5.24 |
Completeness [%] | 91.4 | 71.9 |
Redundancy | 6.7 | 6.1 |
CC(1/2) | 0.992 | 0.942 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.1 M Succinic acid pH 7.0; 15% PEG 3350 |