2DTT
Crystal structure of 6-pyruvoyl tetrahydrobiopterin synthase from Pyrococcus horikoshii OT3 complexed with (1'R,2'S)-biopterin
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 | 2006-05-21 |
Detector | MARRESEARCH |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.682, 105.445, 96.147 |
Unit cell angles | 90.00, 90.95, 90.00 |
Refinement procedure
Resolution | 35.680 - 2.200 |
R-factor | 0.195 |
Rwork | 0.195 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dj6 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.072 | 0.229 |
Number of reflections | 32611 | |
<I/σ(I)> | 8.3 | 3.1 |
Completeness [%] | 90.4 | 81.4 |
Redundancy | 3 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | microbathch | 6.25 | 291 | 16.5% PEG 20000, 0.1M Acetate, NAOH pH6.25, 3mM Biopterin, microbathch, temperature 291K |