6U1M
Resting state of rat cysteine dioxygenase R60E variant
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 | 2019-02-20 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9534 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 57.546, 57.546, 121.624 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.798 - 1.610 |
R-factor | 0.1848 |
Rwork | 0.183 |
R-free | 0.21820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kwj |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.15rc1-3423) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.800 | 41.800 | 1.640 |
High resolution limit [Å] | 1.610 | 8.810 | 1.610 |
Rmerge | 0.130 | 0.037 | 1.515 |
Rmeas | 0.132 | 0.038 | 1.559 |
Rpim | 0.025 | 0.008 | 0.359 |
Total number of observations | 4619 | 23008 | |
Number of reflections | 27402 | 226 | 1308 |
<I/σ(I)> | 23 | 66.8 | 2 |
Completeness [%] | 99.9 | 99.3 | 98.2 |
Redundancy | 27.6 | 20.4 | 17.6 |
CC(1/2) | 1.000 | 1.000 | 0.656 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 291 | 0.5 uL ~12 mg/mL R60E-CDO + 0.5 uL reservoir (26% w/v PEG4000, 200 mM ammonium acetate, 100 mM sodium citrate), cryo-protection: 20% w/v ethylene glycol + 80% reservoir solution |