5O4N
Apo HcgC from Methanococcus maripaludis soaked 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 | 2017-02-17 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.00001 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.556, 80.997, 97.808 |
Unit cell angles | 90.00, 108.24, 90.00 |
Refinement procedure
Resolution | 30.010 - 2.050 |
R-factor | 0.1988 |
Rwork | 0.197 |
R-free | 0.23570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5o4j |
RMSD bond length | 0.010 |
RMSD bond angle | 1.150 |
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] | 48.550 | 2.160 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.103 | 0.717 |
Rpim | 0.072 | 0.498 |
Number of reflections | 65248 | 9601 |
<I/σ(I)> | 6.2 | 1.4 |
Completeness [%] | 96.7 | 98 |
Redundancy | 2.9 | 2.9 |
CC(1/2) | 0.993 | 0.600 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 281 | The drop consists of 1 ul of enzyme solution containing 5 mg/ml HcgC mixed with 1 ul of the reservoir solution : 100 mM HEPES/NaOH pH 7.5, 0.1 M NaCl, and 30% MPD (2-Methyl-2,4-pentanediol). The soaking was performed overnight in the same crystallization buffer containing 2 mM SAH and 3 mM pyridinol (dissolved in 100% DMSO). |