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 |