1DF1
MURINE INOSOXY DIMER WITH ISOTHIOUREA BOUND IN THE ACTIVE SITE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 200 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-03-12 |
| Detector | MARRESEARCH |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 214.464, 214.464, 112.752 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.350 |
| R-factor | 0.298 |
| Rwork | 0.223 |
| R-free | 0.29800 |
| RMSD bond length | 1.013 |
| RMSD bond angle | 1.700 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.056 | 0.321 |
| Total number of observations | 25531 * | |
| Number of reflections | 62443 * | 5859 * |
| <I/σ(I)> | 22.6 | |
| Completeness [%] | 98.2 | 93.9 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.6 * | 277 | LI2SO4, BOG, MES, pH 5.3, VAPOR DIFFUSION, HANGING DROP |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 17 (mg/ml) | |
| 2 | 1 | drop | Hepps | 40 (mM) | |
| 3 | 1 | drop | glycerol | 10 (%) | |
| 4 | 1 | drop | dithiothreitol | 1 (mM) | |
| 5 | 1 | drop | H4B | 2-4 (mM) | |
| 6 | 1 | reservoir | beta-octyl-glucoside | 50 (mM) | |
| 7 | 1 | reservoir | 18-21 (%) | or ammonium sulfate | |
| 8 | 1 | reservoir | S-ethyl-thiourea | 4 (mM) | or 4mM Fe(II)Cl2 |
