5TOW
Crystal structure of the inactive form of S-adenosyl-L-homocysteine hydrolase from Thermotoga maritima in ternary complex with NADH and Adenosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 120.381, 105.509, 85.535 |
| Unit cell angles | 90.00, 108.76, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.750 |
| R-factor | 0.16577 |
| Rwork | 0.166 |
| R-free | 0.18812 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1li4 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.674 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.051 | |
| Number of reflections | 101542 | |
| <I/σ(I)> | 21.92 | |
| Completeness [%] | 99.9 | |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 292 | 0.2 M CaCl2, 0.1 M sodium acetate pH 4.6 and 30% (v/v) MPD |
