2P74
CTX-M-9 class A beta-lactamase apo crystal structure at 0.88 Angstrom resolution
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 | 2005-04-08 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.800 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.162, 106.796, 47.785 |
Unit cell angles | 90.00, 102.09, 90.00 |
Refinement procedure
Resolution | 10.000 - 0.880 |
R-factor | 0.1 |
Rwork | 0.100 |
R-free | 0.11390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ylj |
RMSD bond length | 0.015 |
RMSD bond angle | 0.032 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.000 | 0.910 |
High resolution limit [Å] | 0.880 | 0.880 |
Rmerge | 0.032 | 0.326 |
Number of reflections | 310765 | |
<I/σ(I)> | 18.1 | 2.1 |
Completeness [%] | 88.9 | 80.6 |
Redundancy | 5.5 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | 293 | potassium phosphate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |