3Q1F
CTX-M-9 S70G in complex with hydrolyzed piperacillin
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 | 45.098, 106.606, 47.541 |
Unit cell angles | 90.00, 101.92, 90.00 |
Refinement procedure
Resolution | 19.200 - 1.500 |
R-factor | 0.14537 |
Rwork | 0.144 |
R-free | 0.17646 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2p74 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.301 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.240 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.081 | 0.375 |
Number of reflections | 135290 | |
<I/σ(I)> | 16.9 | 3.5 |
Completeness [%] | 99.3 | 98.4 |
Redundancy | 5 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 293 | 0.8M phosphate, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |