2OBA
Pseudomonas aeruginosa 6-pyruvoyl tetrahydrobiopterin synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-07 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.082, 87.521, 124.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.220 - 2.330 |
| R-factor | 0.189 |
| Rwork | 0.186 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1b66 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.488 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.220 | 50.000 | 2.400 |
| High resolution limit [Å] | 2.320 | 5.000 | 2.320 |
| Rmerge | 0.040 | 0.025 | 0.251 |
| Number of reflections | 33806 | ||
| <I/σ(I)> | 14.1 | ||
| Completeness [%] | 98.4 | 94.5 | 94.8 |
| Redundancy | 3.3 | 3.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 298 | 0.2M lithium sulphate, 0.1M Tris HCl, 30% PEG3000 frozen in 70%paratone/30% mineral oil, pH 9, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
