4KWL
Rat cysteine dioxygenase with 3-mercaptopropionic acid persulfide bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-31 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.95370 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 57.560, 57.560, 122.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.500 - 1.630 |
R-factor | 0.21095 |
Rwork | 0.210 |
R-free | 0.23580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3eln |
RMSD bond length | 0.008 |
RMSD bond angle | 1.262 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.060 | 1.720 |
High resolution limit [Å] | 1.630 | 1.630 |
Rmerge | 0.025 | 0.362 |
Number of reflections | 26441 | |
<I/σ(I)> | 296.1 | 27.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.4 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 297 | Hanging drops of 1.5 microL of approximately 8 mg/mL CDO and 1.5 microL reservoir buffer were allowed to equilibrate above the reservoir buffer (24-34% (w/v) polyethylene glycol 4000, 100-250 mM ammonium acetate, 100 mM sodium citrate, 0-4 mM dithionite, 40 mM 3-mercaptopropionic acid). Crystals grew as needles or starbursts of approximately 0.1 mm in length in one week, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 297K |