3NBQ
Human uridine phosphorylase 1 (hUPP1) with 5-fluorouracil
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-18 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.317, 85.281, 260.581 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.440 - 2.300 |
R-factor | 0.225 |
Rwork | 0.222 |
R-free | 0.27700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.297 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
Rmerge | 0.059 | 0.033 | 0.247 |
Number of reflections | 58528 | ||
<I/σ(I)> | 13.4 | ||
Completeness [%] | 94.1 | 99.3 | 67.4 |
Redundancy | 3.6 | 3.8 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 17% PEG 3350, 100mM Bis-Tris buffer pH 5.5, 160mM magnesium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 298K |