3F2G
Crystal structure of MerB mutant C160S, the Organomercurial Lyase involved in a bacterial mercury resistance system
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-21 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.835, 89.113, 54.722 |
| Unit cell angles | 90.00, 97.47, 90.00 |
Refinement procedure
| Resolution | 24.680 - 1.781 |
| R-factor | 0.188 |
| Rwork | 0.185 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f0o |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.171 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.840 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Number of reflections | 32982 | |
| <I/σ(I)> | 5.6 | |
| Completeness [%] | 93.5 | 92 |
| Redundancy | 3.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 296 | 6% polyethylene glycol 20000 MME and 6% polyethylene glycol 550 MME in 0.1 M sodium acetate pH 5.5 with 0.25 M sodium acetate., VAPOR DIFFUSION, HANGING DROP, temperature 296K |
