3ONE
Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with adenine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-14 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 122.024, 122.024, 126.435 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.350 |
| R-factor | 0.129 |
| Rwork | 0.128 |
| R-free | 0.16300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1v8b |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.736 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0077) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.070 | 0.670 |
| Number of reflections | 206827 | |
| <I/σ(I)> | 28.1 | 2.2 |
| Completeness [%] | 99.3 | 98.2 |
| Redundancy | 9 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 292 | 20% PEG 4000, 10% isopropanol, 0.1 M Tris-HCl pH 8.0, 2 mM 2'-deoxyadenosine, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
