5HMC
Crystal structure of S. sahachiroi AziG complexed with 5-methyl naphthoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-02-12 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9792 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 67.771, 67.771, 140.278 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.023 - 2.200 |
R-factor | 0.1861 |
Rwork | 0.184 |
R-free | 0.21920 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | D_1000217232 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.784 |
Data scaling software | Aimless (0.1.27) |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 70.140 | 70.140 | 2.060 |
High resolution limit [Å] | 1.950 | 6.170 | 1.950 |
Rmerge | 0.056 | 0.017 | 1.116 |
Rpim | 0.023 | ||
Total number of observations | 85401 | ||
Number of reflections | 12265 | ||
<I/σ(I)> | 20.9 | 80.2 | 1.3 |
Completeness [%] | 99.4 | 99.3 | 96.6 |
Redundancy | 7 | 6.2 | 6.2 |
CC(1/2) | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 1.25 M ammonium sulfate and 0.1 M cacodylate pH 6.0 |