5EFU
Resting state of rat cysteine dioxygenase H155Q 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 | 2015-06-15 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.953700 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 57.610, 57.610, 119.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.805 - 2.800 |
R-factor | 0.1845 |
Rwork | 0.182 |
R-free | 0.24080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kwj |
RMSD bond length | 0.014 |
RMSD bond angle | 1.066 |
Data reduction software | MOSFLM (7.1.0) |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 57.610 | 57.610 | 2.990 |
High resolution limit [Å] | 2.800 | 7.920 | 2.800 |
Rmerge | 0.111 | 0.040 | 0.425 |
Rpim | 0.047 | 0.018 | 0.176 |
Total number of observations | 35296 | 1478 | 6492 |
Number of reflections | 5403 | ||
<I/σ(I)> | 14.1 | 24.4 | 4.6 |
Completeness [%] | 99.9 | 98.4 | 100 |
Redundancy | 6.5 | 5.3 | 6.8 |
CC(1/2) | 0.987 | 0.998 | 0.918 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 291 | Hanging drops of 2.5 microL of approximately 25 mg/mL H155Q-CDO (10 mM sodiumphosphate, 20 mM NaCl pH 7.5) and 2.5 microL reservoir buffer containg H155Q-CDO crushed seeds were allowed to equilibrate above the reservoir buffer (26% (w/v) polyethylene glycol 4000, 200 mM ammonium acetate, 100 mM sodium citrate). |