5M5K
S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii in complex with adenosine and cordycepin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P14 (MX2) |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-05-31 |
| Detector | MAR555 FLAT PANEL |
| Wavelength(s) | 1.223 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 108.162, 176.283, 102.349 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.820 - 1.840 |
| R-factor | 0.1464 |
| Rwork | 0.146 |
| R-free | 0.19170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lvc |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.381 |
| 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] | 47.820 | 1.950 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.098 | 1.000 |
| Number of reflections | 168719 | |
| <I/σ(I)> | 16.62 | 2.01 |
| Completeness [%] | 98.6 | 91.7 |
| Redundancy | 7.6 | 5.08 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | 0.2 M sodium acetate, 16% PEG 4000, 0.1 M Tris pH 8.5 |
