6HFS
Human dihydroorotase mutant F1563Y co-crystallized with carbamoyl aspartate at pH 6.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-01-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.697, 159.029, 60.919 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.849 - 1.349 |
R-factor | 0.126225775089 |
Rwork | 0.125 |
R-free | 0.14582 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4c6i |
RMSD bond length | 0.010 |
RMSD bond angle | 1.141 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.849 | 1.400 |
High resolution limit [Å] | 1.349 | 1.349 |
Rmeas | 0.045 | 0.704 |
Number of reflections | 87210 | 8559 |
<I/σ(I)> | 19.9 | 2.2 |
Completeness [%] | 99.7 | 98.6 |
Redundancy | 6.5 | 6.3 |
CC(1/2) | 0.999 | 0.892 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 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 with 4 mM carbamoyl asparate. Mother liquor: 2.5-3 M potassium formate, 0.1 M HEPES pH 6.5 |