5GWA
Crystal structure of TLA-3 extended-spectrum beta-lactamase in a complex with avibactam
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AichiSR BEAMLINE BL2S1 |
Synchrotron site | AichiSR |
Beamline | BL2S1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-03-04 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.12 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 95.939, 68.120, 45.330 |
Unit cell angles | 90.00, 94.53, 90.00 |
Refinement procedure
Resolution | 55.480 - 1.590 |
R-factor | 0.16051 |
Rwork | 0.159 |
R-free | 0.19169 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5gs8 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.470 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.480 | 1.680 |
High resolution limit [Å] | 1.590 | 1.590 |
Rmerge | 0.044 | 0.204 |
Number of reflections | 38600 | |
<I/σ(I)> | 28.1 | 8.8 |
Completeness [%] | 98.8 | 97.7 |
Redundancy | 7.1 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M sodium citrate, 2.8M ammonium sulfate |