3SD9
Crystal structure of serratia fonticola SFH-I: Source of the nucleophile in the catalytic mechanism of mono-zinc metallo-beta-lactamases
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-02-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9529 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 32.965, 86.412, 72.193 |
Unit cell angles | 90.00, 90.07, 90.00 |
Refinement procedure
Resolution | 72.190 - 1.830 |
R-factor | 0.18484 |
Rwork | 0.183 |
R-free | 0.21311 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1x8g |
RMSD bond length | 0.013 |
RMSD bond angle | 1.334 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.200 | 1.900 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.070 | 0.450 |
Number of reflections | 33217 | |
<I/σ(I)> | 12.8 | 2 |
Completeness [%] | 94.0 | 94.3 |
Redundancy | 2.5 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 25% PEG 3350, 0.1M AMMONIUM NITRATE, 3% ISOPROPANOL, PH 7.0 , VAPOR DIFFUSION, HANGING DROP, temperature 293K |