1JFS
PURINE REPRESSOR MUTANT-HYPOXANTHINE-PURF OPERATOR COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | AREA DETECTOR |
| Collection date | 1996-10-16 |
| Detector | UCSD MARK III |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 176.050, 95.040, 81.510 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.900 |
| R-factor | 0.157 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pnr |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.757 |
| Data reduction software | SDMS |
| Data scaling software | SDMS |
| Phasing software | TNT |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 3.110 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.075 * | 0.200 * |
| Total number of observations | 28721 * | |
| Number of reflections | 13773 * | |
| <I/σ(I)> | 4.84 | 1.35 |
| Completeness [%] | 97.9 | 97.7 |
| Redundancy | 6.5 | 5.28 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | PEG 4000, ammonium phosphate, ammonium sulfate, cobalt hexammine, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 4000 | ||
| 2 | 1 | 1 | NH4PO4 | ||
| 3 | 1 | 1 | NH4SO4 | ||
| 4 | 1 | 1 | Co(NH3)6 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8 (mg/ml) | |
| 2 | 1 | reservoir | PEG4000 | 25 (%) | |
| 3 | 1 | reservoir | ammonium sulfate | 0.4 (M) | |
| 4 | 1 | reservoir | cobalt hexammine chloride | 50 (mM) | |
| 5 | 1 | reservoir | ammonium phosphate | 0.1 (M) | pH7.5 |
