3F0P
Crystal structure of the mercury-bound form of MerB, 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 | 38.372, 89.203, 51.585 |
Unit cell angles | 90.00, 100.48, 90.00 |
Refinement procedure
Resolution | 19.470 - 1.640 |
R-factor | 0.186 |
Rwork | 0.184 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f0o |
RMSD bond length | 0.006 |
RMSD bond angle | 1.049 |
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] | 20.000 | 1.700 |
High resolution limit [Å] | 1.640 | 1.640 |
Number of reflections | 40293 | |
<I/σ(I)> | 2.5 | |
Completeness [%] | 96.6 | 93.2 |
Redundancy | 3.9 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 296 | 20% polyethylene glycol 2000 MME, 0.2 M sodium acetate pH 5.5, 0.2 M potassium bromide , VAPOR DIFFUSION, HANGING DROP, temperature 296K |