2CUW
Crystal Structure of Thermus thermophilus PurS, one of the subunits of Formylglycinamide Ribonucleotide Amidotransferase in the purine biosynthetic pathway
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-04 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 0.97944, 1.00000, 0.97979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 59.720, 49.380, 43.750 |
| Unit cell angles | 90.00, 133.56, 90.00 |
Refinement procedure
| Resolution | 32.550 - 2.300 |
| R-factor | 0.231 |
| Rwork | 0.231 |
| R-free | 0.27500 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | CrystalClear ((MSC/RIGAKU)) |
| Data scaling software | CrystalClear ((MSC/RIGAKU)) |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.721 | 1.700 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.050 | 0.227 |
| <I/σ(I)> | 19.3 | 4.1 |
| Completeness [%] | 98.4 | 96.4 |
| Redundancy | 5.5 | 5.17 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.1 | 293 | 25% PEG300, 0.2M Sodium Chloride, 0.1M Sodium Acetate, pH 4.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
