5GHX
Crystal structure of beta-lactamase PenP mutant-E166H
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2012-11-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979228 |
Spacegroup name | P 1 |
Unit cell lengths | 43.331, 45.849, 66.139 |
Unit cell angles | 77.84, 75.65, 69.09 |
Refinement procedure
Resolution | 33.270 - 1.240 |
R-factor | 0.1396 |
Rwork | 0.138 |
R-free | 0.16120 |
RMSD bond length | 0.023 |
RMSD bond angle | 1.947 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.260 |
High resolution limit [Å] | 1.240 | 3.370 | 1.240 |
Rmerge | 0.052 | 0.041 | 0.174 |
Total number of observations | 233139 | ||
Number of reflections | 118377 | ||
<I/σ(I)> | 14.7 | ||
Completeness [%] | 91.5 | 88 | 70.3 |
Redundancy | 2 | 2 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.1M Tris pH 8.0, 22.5% PEG 3350, 0.4M ammonium acetate |