2DJ6
Crystal structure of 6-pyruvoyl tetrahydrobiopterin synthase from Pyrococcus horikoshii OT3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-03-15 |
Detector | MARRESEARCH |
Wavelength(s) | 1.00000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.831, 95.708, 105.654 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.560 - 2.100 |
R-factor | 0.2005 |
Rwork | 0.201 |
R-free | 0.23050 |
Structure solution method | MAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS (1.1) |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.850 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.276 | 0.276 |
Number of reflections | 21534 | |
<I/σ(I)> | 9.9 | 3.07 |
Completeness [%] | 98.3 | 98.5 |
Redundancy | 4.7 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | microbathch | 6.25 | 291 | 16.5% PEG 20000, 0.1M Acetate, NAOH pH 6.25, microbathch, temperature 291K |
1 | microbathch | 6.25 | 291 | 16.5% PEG 20000, 0.1M Acetate, NAOH pH 6.25, microbathch, temperature 291K |
1 | microbathch | 6.25 | 291 | 16.5% PEG 20000, 0.1M Acetate, NAOH pH 6.25, microbathch, temperature 291K |