6N43
Crystal structure of cysteine, nitric oxide-bound ferrous form of the crosslinked human cysteine dioxygenase in the anaerobic condition
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 | 2017-12-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 65 |
Unit cell lengths | 131.161, 131.161, 34.177 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.728 - 2.289 |
R-factor | 0.181 |
Rwork | 0.177 |
R-free | 0.21350 |
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 | 2.300 |
High resolution limit [Å] | 2.250 | 5.550 | 2.250 |
Rmerge | 0.143 | 0.094 | 0.454 |
Total number of observations | 82602 | ||
Number of reflections | 16139 | 1165 | 928 |
<I/σ(I)> | 3.5 | ||
Completeness [%] | 98.4 | 99.7 | 84.5 |
Redundancy | 5.1 | 5.4 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.1 M MES, 2 M ammonium sulfate, 2% PEG400 |