3DMP
2.6 A crystal structure of uracil phosphoribosyltransferase from Burkholderia pseudomallei
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-04 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.222, 80.637, 141.833 |
| Unit cell angles | 90.00, 99.11, 90.00 |
Refinement procedure
| Resolution | 49.330 - 2.600 |
| R-factor | 0.22145 |
| Rwork | 0.219 |
| R-free | 0.27053 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.432 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
| Rmerge | 0.155 | 0.081 | 0.764 |
| Number of reflections | 39360 | ||
| <I/σ(I)> | 4.1 | ||
| Completeness [%] | 99.7 | 99.7 | 100 |
| Redundancy | 3.7 | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 289 | 2M NaCl, 5% PEG 4000, 0.1M TRIS, pH 8.5, VAPOR DIFFUSION, temperature 289K |
