4Z82
Cysteine bound rat cysteine dioxygenase C164S variant at pH 8.1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2014-11-24 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54187 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 58.020, 58.020, 122.230 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.880 - 1.700 |
R-factor | 0.1791 |
Rwork | 0.178 |
R-free | 0.20610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kwj |
RMSD bond length | 0.008 |
RMSD bond angle | 1.102 |
Data reduction software | iMOSFLM (7.1.0) |
Data scaling software | d*TREK |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX (1.9-1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 23.880 | 23.880 | 1.730 |
High resolution limit [Å] | 1.700 | 8.830 | 1.700 |
Rmerge | 0.058 | 0.030 | 0.832 |
Rpim | 0.017 | 0.009 | 0.248 |
Total number of observations | 282218 | 2009 | 13606 |
Number of reflections | 22847 | ||
<I/σ(I)> | 23.6 | 53.6 | 2.3 |
Completeness [%] | 96.7 | 95.2 | 93.1 |
Redundancy | 12.4 | 9.8 | 11.6 |
CC(1/2) | 0.999 | 1.000 | 0.843 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 291 | Hanging drops of 2 microL of 50 mg/mL C164S-CDO (10 mM sodium phosphate, 20 mM NaCl, pH 7.5) and 2 microL reservoir buffer containing seeds from WT-CDO were allowed to equilibrate above the reservoir buffer (26% (w/v) polyethylene glycol 4000, 200 mM ammonium acetate, 100 mM sodium citrate) |