4UBH
Resting state of rat cysteine dioxygenase Y157F variant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2014-05-03 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.953700 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 57.790, 57.790, 121.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.840 - 1.810 |
R-factor | 0.1922 |
Rwork | 0.190 |
R-free | 0.23250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kwj |
RMSD bond length | 0.010 |
RMSD bond angle | 0.980 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.3.6) |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.840 | 25.840 | 1.850 |
High resolution limit [Å] | 1.810 | 8.870 | 1.810 |
Rmerge | 0.464 | 0.069 | 0.359 |
Rpim | 0.062 | 0.011 | 0.478 |
Total number of observations | 1091338 | 8355 | 66549 |
Number of reflections | 35952 | ||
<I/σ(I)> | 13.7 | 46.2 | 1.8 |
Completeness [%] | 100.0 | 96.6 | 100 |
Redundancy | 55.6 | 39 | 56.8 |
CC(1/2) | 0.997 | 1.000 | 0.627 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 291 | Hanging drops of 2.5 microL of approximately 24 mg/mL Y157F-CDO (20mM Tris-Cl pH 8.0) and 2.5 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). |