5I63
Crystal structure of TEM1 beta-lactamase mutant I263N in the presence of 1.2 MPa xenon
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-08 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.181 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.070, 84.200, 96.220 |
Unit cell angles | 90.00, 89.97, 90.00 |
Refinement procedure
Resolution | 60.070 - 1.950 |
R-factor | 0.1873 |
Rwork | 0.184 |
R-free | 0.22240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hvi |
RMSD bond length | 0.005 |
RMSD bond angle | 0.849 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.17) |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 63.360 | 63.360 | 2.000 |
High resolution limit [Å] | 1.950 | 9.150 | 1.950 |
Rmerge | 0.152 | 0.059 | 0.587 |
Rmeas | 0.177 | ||
Rpim | 0.091 | ||
Total number of observations | 258898 | ||
Number of reflections | 68222 | ||
<I/σ(I)> | 7.2 | ||
Completeness [%] | 97.8 | 98.7 | 96.3 |
Redundancy | 3.8 | 3.6 | 3.8 |
CC(1/2) | 0.985 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | 0.2 M sodium formate (pH 7.0), 20% (w/v) PEG 3350 |