4OP5
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S mutation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.79990 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 153.600, 46.100, 34.500 |
Unit cell angles | 90.00, 93.30, 90.00 |
Refinement procedure
Resolution | 44.150 - 1.050 |
R-factor | 0.13188 |
Rwork | 0.131 |
R-free | 0.15726 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zg4 |
RMSD bond length | 0.025 |
RMSD bond angle | 2.333 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.150 | |
High resolution limit [Å] | 1.050 | |
Number of reflections | 109005 | |
<I/σ(I)> | 16.45 | |
Completeness [%] | 97.2 | 95.2 |
Redundancy | 3.31 | 3.21 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 293 | 9% (wt/vol) polyethylene glycol (PEG) 8000, 100 mM MES pH 6.2, and 200mM Ca(OAc)2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |