3G35
CTX-M-9 class A beta-lactamase complexed with compound 12 (F13)
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 | 2008-07-28 |
Detector | ADSC QUANTUM Q315r |
Wavelength(s) | 1.11587 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.265, 107.243, 47.727 |
Unit cell angles | 90.00, 99.93, 90.00 |
Refinement procedure
Resolution | 35.360 - 1.410 |
R-factor | 0.156 |
Rwork | 0.155 |
R-free | 0.18200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ylj |
RMSD bond length | 0.007 |
RMSD bond angle | 1.164 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC (5.2.0019) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.460 |
High resolution limit [Å] | 1.410 | 3.040 | 1.410 |
Rmerge | 0.053 | 0.031 | 0.334 |
Number of reflections | 84626 | ||
Completeness [%] | 98.6 | 99.5 | 94 |
Redundancy | 2.5 | 2.6 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 292 | Potassium Phosphate, pH 8.7, vapor diffusion, hanging drop, temperature 292K |