4HFQ
Crystal structure of UDP-X diphosphatase
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-12 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.97929 |
| Spacegroup name | P 31 |
| Unit cell lengths | 77.992, 77.992, 64.704 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 67.570 - 1.390 |
| R-factor | 0.1736 |
| Rwork | 0.172 |
| R-free | 0.19620 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.359 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE (2.03) |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 67.570 | 50.000 | 1.440 |
| High resolution limit [Å] | 1.390 | 2.990 | 1.390 |
| Rmerge | 0.057 | 0.035 | 0.496 |
| Number of reflections | 88640 | ||
| <I/σ(I)> | 7.9 | ||
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 5.3 | 5.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | Bis-Tris, Li2SO4, PEG-3350, pH 5.5, vapor diffusion, hanging drop, temperature 298K |
