4GN2
Crystal Structure of OXA-45, a Class D beta-lactamase with extended spectrum activity
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-05 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.169, 47.488, 108.903 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.226 - 2.010 |
R-factor | 0.1685 |
Rwork | 0.166 |
R-free | 0.21610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1m6k |
RMSD bond length | 0.007 |
RMSD bond angle | 1.121 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.080 |
High resolution limit [Å] | 2.010 | 4.330 | 2.010 |
Rmerge | 0.141 | 0.067 | 0.435 |
Number of reflections | 16275 | ||
<I/σ(I)> | 5.4 | ||
Completeness [%] | 100.0 | 99.8 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES pH 7.5 22% PEG 4K 10% 2-propanol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |