4LVC
Crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii in complex 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 | CCD |
| Collection date | 2011-04-26 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 107.720, 176.470, 104.270 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.850 - 1.740 |
| R-factor | 0.14775 |
| Rwork | 0.148 |
| R-free | 0.17222 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n58 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.618 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.850 | 7.780 | 1.790 |
| High resolution limit [Å] | 1.740 | 5.500 | 1.740 |
| Rmerge | 0.086 | 0.065 | 0.694 |
| Number of reflections | 200550 | ||
| <I/σ(I)> | 12.34 | 29.26 | 1.95 |
| Completeness [%] | 98.7 | 99.8 | 97 |
| Redundancy | 6.37 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 292 | 0.2 M ammonium acetate, pH 7.1, 20% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
