6NVU
Crystal structure of TLA-1 extended spectrum Beta-lactamase in complex with Clavulanic Acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-10-18 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9791932 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 98.640, 98.640, 100.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.182 - 2.500 |
R-factor | 0.2045 |
Rwork | 0.201 |
R-free | 0.26630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e25 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.916 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.018 | |
Rmeas | 0.019 | 1.152 |
Number of reflections | 17306 | 1930 |
<I/σ(I)> | 16.23 | 2.9 |
Completeness [%] | 97.4 | 99.6 |
Redundancy | 14 | |
CC(1/2) | 0.998 | 0.858 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 291.15 | 2.4 M Ammonium sulfate, 100 mM Sodium Phosphate dibasic/Citric Acid |