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 |