6N42

Crystal structure of cysteine-bound ferrous form of the crosslinked human cysteine dioxygenase in the anaerobic condition

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-16
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97919
Spacegroup name	P 65
Unit cell lengths	131.221, 131.221, 34.296
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.833 - 2.199
R-factor	0.1761
Rwork	0.172
R-free	0.21010
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	2.250
High resolution limit [Å]	2.200	5.420	2.200
Rmerge	0.174	0.067	0.989
Rmeas	0.182	0.070	1.032
Rpim	0.051	0.020	0.291
Total number of observations	220059
Number of reflections	17616	1251	1173
<I/σ(I)>	4.6
Completeness [%]	100.0	99.7	100
Redundancy	12.5	11.6	12.4
CC(1/2)		0.998	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.1 M MES, 2 M ammonium sulfate, 2% PEG400