5O4J
HcgC from Methanococcus maripaludis cocrystallized with SAH and pyridinol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-09-11 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.99999 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.740, 82.998, 96.123 |
Unit cell angles | 90.00, 108.03, 90.00 |
Refinement procedure
Resolution | 45.702 - 1.700 |
R-factor | 0.1607 |
Rwork | 0.159 |
R-free | 0.19210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5d4v |
RMSD bond length | 0.005 |
RMSD bond angle | 0.837 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | MOLREP (11.4.06) |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.410 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.071 | 0.562 |
Rpim | 0.043 | 0.334 |
Number of reflections | 119006 | 17367 |
<I/σ(I)> | 9.5 | |
Completeness [%] | 99.6 | 99.9 |
Redundancy | 3.7 | 3.8 |
CC(1/2) | 0.997 | 0.589 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 281 | The drop consists of 1 ul of enzyme solution containing 5 mg/ml HcgC, 2 mM pyridinol and 2 mM SAH mixed with 1 ul of the reservoir solution : 40% v/v PEG 400, 100 mM Tris/HCl pH 8.5 and 200 mM LiSO4 |