6BGF

Crystal structure of cysteine-bound ferrous form of the crosslinked 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
Spacegroup name	P 65
Unit cell lengths	131.295, 131.295, 34.218
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.902 - 2.251
R-factor	0.1699
Rwork	0.165
R-free	0.21930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ic1
Data reduction software	HKL-2000
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	2.310
High resolution limit [Å]	2.250	5.290	2.250
Rmerge	0.082	0.047	0.419
Rmeas	0.091	0.052	0.477
Rpim	0.037	0.022	0.220
Total number of observations	87856
Number of reflections	16168	1339	1145
<I/σ(I)>	9.1
Completeness [%]	98.8	99.5	92
Redundancy	5.4	5.8	3.7
CC(1/2)		0.998	0.642

Crystallization Conditions

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