1KHJ
E. COLI ALKALINE PHOSPHATASE MUTANT (D153HD330N) MIMIC OF THE TRANSITION STATES WITH ALUMINIUM FLUORIDE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 292 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-07-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 163.511, 163.511, 138.025 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 2.300 |
| R-factor | 0.18 |
| Rwork | 0.180 |
| R-free | 0.22300 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1kh4 |
| RMSD bond length | 0.010 * |
| RMSD bond angle | 1.617 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.440 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.110 * | 0.480 * |
| Number of reflections | 49163 | |
| Completeness [%] | 99.7 | 95 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8 | 292 | ammonium sulfate, magnesium chloride, zinc sulfate, TRIS, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 2.4 (M) | |
| 2 | 1 | reservoir | 10 (mM) | ||
| 3 | 1 | reservoir | 1 (mM) | ||
| 4 | 1 | reservoir | Tris-HCl | 100 (mM) | pH8.0 |
| 5 | 1 | drop | protein | 30-40 (mg/ml) |
