6BPU
Crystal structure of ferrous form of the F2-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 | 2017-02-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 65 |
Unit cell lengths | 131.385, 131.385, 34.246 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.928 - 1.800 |
R-factor | 0.1695 |
Rwork | 0.168 |
R-free | 0.18920 |
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 | 1.840 |
High resolution limit [Å] | 1.800 | 4.440 | 1.800 |
Rmerge | 0.208 | 0.170 | 0.678 |
Rmeas | 0.222 | 0.181 | 0.761 |
Rpim | 0.076 | 0.062 | 0.336 |
Number of reflections | 32023 | 2263 | 2019 |
<I/σ(I)> | 5.1 | ||
Completeness [%] | 99.7 | 99.8 | 96.8 |
Redundancy | 7.3 | 8.4 | 4 |
CC(1/2) | 0.980 | 0.856 |
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 |