6BPV

Crystal structure of cysteine-bound ferrous form of the matured F2-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	2017-04-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97622
Spacegroup name	P 65
Unit cell lengths	131.435, 131.435, 34.177
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.570 - 1.950
R-factor	0.1619
Rwork	0.160
R-free	0.17920
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	2.000
High resolution limit [Å]	1.950	4.810	1.950
Rmerge	0.163	0.116	0.768
Rmeas	0.173	0.122	0.828
Rpim	0.055	0.039	0.305
Number of reflections	25083	1773	1659
<I/σ(I)>	4.8
Completeness [%]	99.9	99.7	98.9
Redundancy	9.4	9.8	6.8
CC(1/2)		0.982	0.818

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