6U4L
cysteine dioxygenase variant - C93E
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 | 2015-01-16 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.1271 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 57.685, 57.685, 122.213 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.930 - 1.911 |
Rwork | 0.175 |
R-free | 0.21730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xf0 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.057 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.690 | 1.960 |
High resolution limit [Å] | 1.910 | 1.910 |
Rmerge | 0.085 | 0.417 |
Rmeas | 0.088 | 0.441 |
Rpim | 0.017 | 0.105 |
Number of reflections | 16741 | 1068 |
<I/σ(I)> | 33.4 | 7.4 |
Completeness [%] | 99.9 | 98.2 |
Redundancy | 27 | |
CC(1/2) | 0.999 | 0.959 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 297.15 | 0.1 M sodium acetate, 1 M lithium chloride, 30% PEG 6,000 |