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