4QY5
Crystal structures of chimeric beta-lactamase cTEM-19m showing different conformations
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-08-12 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.520, 58.210, 109.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.400 - 1.501 |
R-factor | 0.11283 |
Rwork | 0.110 |
R-free | 0.16101 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4zg4 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.759 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.400 | 1.540 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.062 | 0.841 |
Number of reflections | 38195 | |
<I/σ(I)> | 20.9 | 2.2 |
Completeness [%] | 99.9 | 99.3 |
Redundancy | 7.2 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | 30% PEG 4000, 0.2M magnesium chloride, 0.1M TrisHCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |