3GV9
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 |
Wavelength(s) | 1.1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 118.166, 78.329, 97.711 |
Unit cell angles | 90.00, 116.59, 90.00 |
Refinement procedure
Resolution | 32.500 - 1.800 |
R-factor | 0.212 |
Rwork | 0.210 |
R-free | 0.24600 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.293 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
Rmerge | 0.083 | 0.061 | 0.419 |
Number of reflections | 72632 | ||
<I/σ(I)> | 13.95 | ||
Completeness [%] | 97.9 | 99.5 | 99.9 |
Redundancy | 3.6 | 3.7 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 400mM KPi at pH 8.5 with 25% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K |