3GR2
AmpC beta-lactamase in complex with Fragment-based Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-01-25 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 118.525, 76.547, 98.009 |
Unit cell angles | 90.00, 116.36, 90.00 |
Refinement procedure
Resolution | 32.440 - 1.800 |
R-factor | 0.206 |
Rwork | 0.205 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ke4 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.160 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.277 | |
Number of reflections | 72028 | |
Completeness [%] | 98.7 | 94.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.7 | 294 | 1.7M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K |