3ISG
Structure of the class D beta-lactamase OXA-1 in complex with doripenem
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-25 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.041, 71.613, 93.139 |
Unit cell angles | 90.00, 99.18, 90.00 |
Refinement procedure
Resolution | 28.290 - 1.400 |
R-factor | 0.185 |
Rwork | 0.184 |
R-free | 0.20600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1m6k |
RMSD bond length | 0.013 |
RMSD bond angle | 1.365 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (1.3.3) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.450 |
High resolution limit [Å] | 1.400 | 3.020 | 1.400 |
Rmerge | 0.074 | 0.055 | 0.293 |
Number of reflections | 86546 | ||
<I/σ(I)> | 13.5 | ||
Completeness [%] | 96.6 | 98.9 | 88.1 |
Redundancy | 5.1 | 5.5 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 10% (v/v) PEG 8000, 50 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |