1X1C
Crystal structure of BchU complexed with S-adenosyl-L-homocysteine and Zn2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL40B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL40B2 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2004-12-19 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.25 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 81.615, 81.615, 250.960 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.830 - 2.850 |
| R-factor | 0.23 |
| Rwork | 0.230 |
| R-free | 0.28800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x1b |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS (1.1) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.950 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Number of reflections | 12397 | |
| <I/σ(I)> | 13.2 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 20.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1M TRIS, 1.5M ammonium sulfate, 12% glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
