1KHI
CRYSTAL STRUCTURE OF HEX1
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-04-13 |
| Detector | BRANDEIS |
| Wavelength(s) | 0.978797, 0.978441, 0.930 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 57.427, 57.427, 196.975 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 1.800 * |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.23000 * |
| Structure solution method | MAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.351 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 1.830 |
| High resolution limit [Å] | 1.800 * | 1.800 |
| Rmerge | 0.055 * | 0.159 |
| Total number of observations | 123270 * | |
| Number of reflections | 18047 * | |
| <I/σ(I)> | -3 | |
| Completeness [%] | 95.6 | 85.1 |
| Redundancy | 4.3 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.5 * | 20 * | pH 7.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 3 (mg/ml) | |
| 2 | 1 | reservoir | Tris | 60 (mM) | pH7.5 |
| 3 | 1 | reservoir | 210 (mM) | ||
| 4 | 1 | reservoir | 30 (mM) | ||
| 5 | 1 | reservoir | MPD | 5 (%(w/v)) |
