2B5R
1B Lactamase / B Lactamase Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-07-01 |
Detector | NONIUS CAD4 |
Wavelength(s) | 0.97565 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.799, 124.473, 157.256 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.300 - 1.650 |
R-factor | 0.19 |
Rwork | 0.190 |
R-free | 0.22200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.900 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASES |
Refinement software | CNS (0.9) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.075 | 0.348 |
Number of reflections | 109217 | |
<I/σ(I)> | 18.5 | 4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 298 | PEG 3350, NH4 Acetate, pH 8.5, Microbatch, temperature 298K |