1MVN
PPC decarboxylase mutant C175S complexed with pantothenoylaminoethenethiol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-03-03 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 63 |
| Unit cell lengths | 111.181, 111.181, 33.450 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.000 * - 2.210 |
| R-factor | 0.2196 |
| Rwork | 0.210 |
| R-free | 0.26400 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1mvl |
| RMSD bond length | 0.011 * |
| RMSD bond angle | 0.011 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS (1.1) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.290 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.040 | 0.265 |
| Number of reflections | 11729 | |
| <I/σ(I)> | 22 | 3.1 |
| Completeness [%] | 96.2 | 84.5 |
| Redundancy | 2.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.5 * | 293 | ammonium sulphate, imidazole, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | pH7.5 |
| 3 | 1 | reservoir | ammonium sulfate | 1.4 (M) | |
| 4 | 1 | reservoir | imidazole-HCl | 100 (mM) | pH6.3 |
