6HFF
Human dihydroorotase mutant F1563Y apo structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-01-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.730, 159.200, 61.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.342 - 1.510 |
R-factor | 0.127393544248 |
Rwork | 0.126 |
R-free | 0.15104 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4c6c |
RMSD bond length | 0.011 |
RMSD bond angle | 1.184 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.342 | 1.564 |
High resolution limit [Å] | 1.510 | 1.510 |
Rmeas | 0.056 | 0.661 |
Number of reflections | 62752 | 6216 |
<I/σ(I)> | 20.75 | 3.83 |
Completeness [%] | 99.9 | 99.86 |
Redundancy | 6.6 | 6.7 |
CC(1/2) | 0.998 | 0.920 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | Protein at 2-3 mg/ml in 20 mM Tris pH 8, 0.15 M NaCl, 0.02 mM zinc sulfate, 0.2 mM TCEP Mother liquor: 2.5-3 M potassium formate, 0.1 M HEPES pH 7.5 |