6BPW
Crystal structure of ferrous form of the Cl2-Tyr157 human cysteine dioxygenase with both uncrosslinked and crosslinked cofactor
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 | 2017-03-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 65 |
Unit cell lengths | 131.098, 131.098, 34.292 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.827 - 2.430 |
R-factor | 0.1646 |
Rwork | 0.160 |
R-free | 0.20560 |
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 | 2.490 |
High resolution limit [Å] | 2.430 | 5.990 | 2.430 |
Rmerge | 0.213 | 0.136 | 0.675 |
Rmeas | 0.225 | 0.144 | 0.733 |
Rpim | 0.071 | 0.046 | 0.272 |
Number of reflections | 12775 | 912 | 797 |
<I/σ(I)> | 4.4 | ||
Completeness [%] | 97.7 | 97 | 94.3 |
Redundancy | 9.7 | 10.1 | 6.4 |
CC(1/2) | 0.988 | 0.694 |
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 |