3OZB
Crystal Structure of 5'-methylthioinosine phosphorylase from Psedomonas aeruginosa in complex with hypoxanthine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-10 |
| Wavelength(s) | 1.0809 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 99.469, 99.469, 334.935 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.960 - 2.800 |
| R-factor | 0.205 |
| Rwork | 0.202 |
| R-free | 0.26180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.470 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 5.980 | 2.800 |
| Rmerge | 0.172 | 0.080 | 0.955 |
| Number of reflections | 42497 | ||
| <I/σ(I)> | 6.3 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 7 | 6.2 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 291 | 200mM potassium thiocyanate,20% PEG monomethyl ether 2000, pH 7.4, vapor diffusion, sitting drop, temperature 291K |
