7QLP
Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.3 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-02-19 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.8726 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 89.314, 89.314, 501.668 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.300 |
R-factor | 0.1902 |
Rwork | 0.189 |
R-free | 0.21710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3jyi |
RMSD bond length | 0.010 |
RMSD bond angle | 1.599 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.330 | 2.360 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 1.333 | |
Number of reflections | 89238 | 6429 |
<I/σ(I)> | 7.3 | |
Completeness [%] | 99.9 | |
Redundancy | 4.9 | |
CC(1/2) | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG-4000, 0.2 M calcium acetate, 0.1 M Tris-HCl, pH 7.5. |