3HVF
X-ray crystallographic structure of CTX-M-9 S70G in complex with hydrolyzed benzylpenicillin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-02-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0723 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.223, 106.938, 47.827 |
Unit cell angles | 90.00, 101.76, 90.00 |
Refinement procedure
Resolution | 34.160 - 1.500 |
R-factor | 0.147 |
Rwork | 0.146 |
R-free | 0.17600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.238 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.073 | 0.231 |
Number of reflections | 70728 | |
<I/σ(I)> | 13.367 | 3.51 |
Completeness [%] | 99.8 | 99.4 |
Redundancy | 4 | 3.9 |
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 |