1H2E
BACILLUS STEAROTHERMOPHILUS PHOE (previously known as yhfr) in complex with phosphate
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 | 2002-01-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 55.546, 55.546, 164.645 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.690 |
| R-factor | 0.213 |
| Rwork | 0.213 |
| R-free | 0.22300 |
| Structure solution method | OTHER |
| RMSD bond length | 0.006 |
| RMSD bond angle | 22.300 * |
| 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 | 1.750 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.059 | 0.453 |
| Number of reflections | 29325 | |
| <I/σ(I)> | 31.9 | 1.6 |
| Completeness [%] | 99.0 | 95.9 |
| Redundancy | 5.9 | 3.5 |
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) |
