5C17
Crystal structure of the mercury-bound form of MerB2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-15 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.9795 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 83.290, 53.421, 47.719 |
Unit cell angles | 90.00, 96.85, 90.00 |
Refinement procedure
Resolution | 29.460 - 1.240 |
R-factor | 0.143 |
Rwork | 0.142 |
R-free | 0.16100 |
Structure solution method | SAD, MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f0o |
RMSD bond length | 0.010 |
RMSD bond angle | 1.254 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.260 |
High resolution limit [Å] | 1.240 | 1.240 |
Rmerge | 0.076 | 0.482 |
Number of reflections | 56523 | |
<I/σ(I)> | 8.4 | |
Completeness [%] | 96.5 | 73.1 |
Redundancy | 3.9 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 296 | 1.8 M ammonium citrate tribasic pH 7.0. Before flash freezing, 10% glycerol was added as a cryo-protectant. |