1YMS
X-ray crystallographic structure of CTX-M-9 beta-lactamase complexed with nafcinin-like boronic acid 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 | 2004-07-17 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.11587 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.260, 106.825, 47.867 |
Unit cell angles | 90.00, 101.74, 90.00 |
Refinement procedure
Resolution | 19.750 - 1.600 |
R-factor | 0.157 |
Rwork | 0.157 |
R-free | 0.19300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ylj |
RMSD bond length | 0.009 |
RMSD bond angle | 1.500 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.069 | 0.347 |
Number of reflections | 57897 | |
<I/σ(I)> | 11 | 2.48 |
Completeness [%] | 98.6 | 96.7 |
Redundancy | 5.22 |
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 |