1NF8
Crystal structure of PhzD protein active site mutant with substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-07-15 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 68.400, 77.010, 82.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.600 |
| R-factor | 0.134 |
| Rwork | 0.134 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Native structure |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.026 |
| Data reduction software | CrystalClear ((MSC/RIGAKU)) |
| Data scaling software | d*TREK |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.042 | 0.207 |
| Total number of observations | 82842 * | |
| Number of reflections | 27572 | |
| <I/σ(I)> | 22 | 3.1 |
| Completeness [%] | 99.7 | 99 |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 10-20% polyethylene glycol 4000, 0.2M ammonium formate, 0.2% beta-octylglucoside, 1mM isochorismate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PEG4000 | 10 (%) | |
| 2 | 1 | drop | ammonium formate | 0.2 (M) | |
| 3 | 1 | reservoir | PEG4000 | 10-20 (%) | |
| 4 | 1 | reservoir | ammonium formate | 0.2 (M) | |
| 5 | 1 | drop | protein | 17 (mg/ml) |
