1RTY
Crystal Structure of Bacillus subtilis YvqK, a putative ATP-binding Cobalamin Adenosyltransferase, The North East Structural Genomics Target SR128
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-06-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9793, 0.97959, 0.97237 |
| Spacegroup name | P 4 |
| Unit cell lengths | 104.350, 104.350, 55.985 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.600 - 2.400 |
| R-factor | 0.225 |
| Rwork | 0.224 |
| R-free | 0.28000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nog |
| RMSD bond length | 0.006 |
| RMSD bond angle | 18.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | COMO |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.600 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.101 | 0.259 |
| Number of reflections | 39984 | |
| <I/σ(I)> | 15 | 3.99 |
| Completeness [%] | 86.4 | 86.4 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 277 | 50 mM MES, 12% PEG 20,000 , pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | Tris | 5 (mM) | pH7. |
| 3 | 1 | drop | 100 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 5 (mM) | |
| 5 | 1 | reservoir | MES | 50 (mM) | pH6.2 |
| 6 | 1 | reservoir | PEG20000 | 12 (%) |
