1LG6
Crystal Structure Analysis of HCA II Mutant T199P in Complex with Thiocyanate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-01-01 |
| Detector | MAC Science DIP-2030H |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 66.516, 51.315, 81.003 |
| Unit cell angles | 90.00, 107.57, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.200 |
| R-factor | 0.201 |
| Rwork | 0.197 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.709 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.113 | 0.255 |
| Total number of observations | 22178 * | |
| Number of reflections | 11673 | |
| Completeness [%] | 91.9 | 92.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 4 * | PEG 2000 or 3350, Tris-HCl, BME. Crystals soaked in BME free solution with SCN., pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG2000 | 20-22 (%) | or PEG3350 |
| 2 | 1 | reservoir | Tris | 50 (mM) | pH7.8 |
| 3 | 1 | reservoir | beta-mercaptoethanol | 3 (mM) | |
| 4 | 1 | drop | protein | 13 (mg/ml) | |
| 5 | 1 | drop | Tris | 25 (mM) | pH8.0 |
| 6 | 1 | drop | PEG2000 | 13 (%) | or PEG3350 |
| 7 | 1 | drop | Tris | 50 (mM) | pH7.8 |
| 8 | 1 | drop | beta-mercaptoethanol | 3 (mM) |
