6EXI
NAD-free crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii complexed with adenosine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-09 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 90.635, 124.360, 92.721 |
Unit cell angles | 90.00, 103.71, 90.00 |
Refinement procedure
Resolution | 47.083 - 1.918 |
R-factor | 0.1729 |
Rwork | 0.173 |
R-free | 0.21750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5m66 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.178 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.083 | 2.030 |
High resolution limit [Å] | 1.920 | 1.920 |
Rmerge | 0.124 | |
Rmeas | 0.137 | |
Number of reflections | 151344 | 24151 |
<I/σ(I)> | 10.12 | 2.16 |
Completeness [%] | 99.3 | 98.4 |
Redundancy | 5.7 | 5.6 |
CC(1/2) | 0.996 | 0.794 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292 | 0.3 M sodium acetate, 16% PEG 400, 0.1 M Tris pH 8.5 |