1H2F
BACILLUS STEAROTHERMOPHILUS PHOE (previously known as yhfr) in complex with trivanadate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-03-15 |
Detector | ADSC CCD |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 55.758, 55.758, 163.586 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.000 |
R-factor | 0.214 |
Rwork | 0.214 |
R-free | 0.24300 |
Structure solution method | OTHER |
RMSD bond length | 0.007 |
RMSD bond angle | 22.700 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.155 | 0.554 |
Number of reflections | 17334 | |
<I/σ(I)> | 15.8 | 2.1 |
Completeness [%] | 95.2 | 88.2 |
Redundancy | 4.9 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.4 * | 22 * | 15 % ETHYLENE GLYCOL, 85 MM SODIUM CACODYLATE PH 4.5 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | Tris-HCl | 10.0 (mM) | pH7.4 |
2 | 1 | drop | dithiothreitol | 1.0 (mM) | |
3 | 1 | drop | EDTA | 2.0 (mM) | |
4 | 1 | drop | 150.0 (mM) | ||
5 | 1 | drop | protein | 25 (mg/ml) | |
6 | 1 | reservoir | AMP substrate | 25 (mM) |