5D4V
HcgC with SAH and a guanylylpyridinol (GP) derivative
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 | 2014-12-01 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 86.110, 70.480, 91.770 |
Unit cell angles | 90.00, 105.19, 90.00 |
Refinement procedure
Resolution | 44.283 - 1.600 |
R-factor | 0.1724 |
Rwork | 0.171 |
R-free | 0.20790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5d4u |
RMSD bond length | 0.013 |
RMSD bond angle | 1.446 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.700 | |
High resolution limit [Å] | 1.600 | 12.000 | 1.600 |
Rmerge | 0.048 | 0.031 | 0.802 |
Rmeas | 0.055 | 0.034 | 0.911 |
Total number of observations | 622756 | ||
Number of reflections | 139537 | 358 | 23076 |
<I/σ(I)> | 15.99 | 46.55 | 2.26 |
Completeness [%] | 99.8 | 96.5 | 99.7 |
Redundancy | 4.5 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 281 | 2% (w/v) PEG8000, 0.5 M lithium sulfate |