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 |
