4RX3
A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for catalysis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2014-06-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.997 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.920, 60.140, 88.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.540 - 1.390 |
R-factor | 0.1726 |
Rwork | 0.172 |
R-free | 0.19370 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.114 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.540 | 30.540 | 1.410 |
High resolution limit [Å] | 1.390 | 7.490 | 1.390 |
Rmerge | 0.069 | ||
Number of reflections | 64012 | ||
<I/σ(I)> | 1.9 | 53.9 | 1.9 |
Completeness [%] | 99.0 | 96.6 | 99.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 0.24M citrate, 25% w/v PEG 4,000, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |