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 |