4GKU
Crystal structure of beta lactamase in PET-15B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BSRF BEAMLINE 3W1A |
Synchrotron site | BSRF |
Beamline | 3W1A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-25 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.2605 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.009, 72.817, 74.723 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.917 - 1.915 |
R-factor | 0.1664 |
Rwork | 0.163 |
R-free | 0.19690 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.016 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.980 |
High resolution limit [Å] | 1.910 | 1.910 |
Number of reflections | 37743 | |
Completeness [%] | 98.1 | 89.3 |
Redundancy | 13.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 293 | 0.2M magnesium chloride, 0.1M BIS-Tris, 25% PEG 3350, pH 6.5, VAPOR DIFFUSION, temperature 293K |