5M67
Crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii in complex with adenine and 2'-deoxyadenosine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-02-11 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.969 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 107.484, 174.532, 96.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.633 - 1.540 |
R-factor | 0.1447 |
Rwork | 0.145 |
R-free | 0.17570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lvc |
RMSD bond length | 0.016 |
RMSD bond angle | 1.506 |
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] | 43.633 | 1.630 |
High resolution limit [Å] | 1.540 | 1.540 |
Rmerge | 0.096 | 1.021 |
Number of reflections | 268793 | |
<I/σ(I)> | 15.41 | 2.19 |
Completeness [%] | 99.6 | 98.3 |
Redundancy | 9.3 | 9.08 |
CC(1/2) | 0.693 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 292 | 0.3 M sodium acetate, 14% PEG 4000, 0.1 M Tris pH 8.0 |