6BPX
Crystal structure of cysteine-bound ferrous form of the matured Cl2-Tyr157 human cysteine dioxygenase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-06-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 65 |
Unit cell lengths | 131.810, 131.810, 34.268 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.145 - 2.150 |
R-factor | 0.1815 |
Rwork | 0.178 |
R-free | 0.21240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ic1 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.210 |
High resolution limit [Å] | 2.150 | 5.050 | 2.150 |
Rmerge | 0.145 | 0.087 | 0.693 |
Rmeas | 0.159 | 0.096 | 0.770 |
Rpim | 0.064 | 0.038 | 0.331 |
Total number of observations | 112416 | ||
Number of reflections | 18879 | 1539 | 1398 |
<I/σ(I)> | 5.7 | ||
Completeness [%] | 99.8 | 99.6 | 99.9 |
Redundancy | 6 | 6.2 | 5.2 |
CC(1/2) | 0.992 | 0.778 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 0.1 M MES, 2 M ammonium sulfate, 2% PEG400 |