5O4H
HcgC from Methanococcus maripaludis cocrystallized with SAM 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 | 73.168, 77.736, 100.991 |
Unit cell angles | 90.00, 110.87, 90.00 |
Refinement procedure
Resolution | 47.850 - 1.750 |
R-factor | 0.1688 |
Rwork | 0.168 |
R-free | 0.19330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5d4v |
RMSD bond length | 0.010 |
RMSD bond angle | 1.210 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | MOLREP (11.4.06) |
Refinement software | BUSTER (2.10.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.850 | 1.840 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.082 | 0.646 |
Rpim | 0.041 | 0.331 |
Number of reflections | 106203 | 15490 |
<I/σ(I)> | 9.7 | 2.2 |
Completeness [%] | 99.7 | 100 |
Redundancy | 4.8 | 4.7 |
CC(1/2) | 0.997 | 0.421 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 281 | 5 mg/ml of pure HcgC containing 2 mM SAM and 2 mM pyridinol was used and mixed at a ratio of 1 ul with 1 ul of precipitant composed of 50% v/v PEG 400, 100 mM NaAcetate pH 4.5 and 200 mM LiSO4 |