6CDN

Crystal structure of cysteine-bound ferrous form of the crosslinked Cl-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	131.326, 131.326, 34.188
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.987 - 2.055
R-factor	0.1649
Rwork	0.162
R-free	0.19280
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	2.090
High resolution limit [Å]	2.050	5.560	2.050
Rmerge	0.135	0.090	0.436
Rmeas	0.147	0.099	0.515
Rpim	0.059	0.040	0.269
Total number of observations	121064
Number of reflections	21288	1137	954
<I/σ(I)>	7.8
Completeness [%]	99.2	98.4	91.9
Redundancy	5.7	6.1	3.3
CC(1/2)		0.991	0.934

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