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 |
