3VSJ
Crystal structure of 1,6-APD (2-ANIMOPHENOL-1,6-DIOXYGENASE) complexed with intermediate products
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 98 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-04-27 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 270.240, 48.390, 108.550 |
| Unit cell angles | 90.00, 109.57, 90.00 |
Refinement procedure
| Resolution | 39.870 - 2.300 |
| R-factor | 0.19188 |
| Rwork | 0.190 |
| R-free | 0.23397 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vsg |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.033 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.870 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.109 | 0.456 |
| Number of reflections | 55311 | |
| <I/σ(I)> | 15.7 | 2.7 |
| Completeness [%] | 97.8 | 86.5 |
| Redundancy | 5.2 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 25% PEG 3350, 0.2M SODIUM CHLORIDE, PH 6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K |
