6E87

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

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	2017-11-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 65
Unit cell lengths	131.706, 131.706, 34.325
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.111 - 1.952
R-factor	0.1728
Rwork	0.171
R-free	0.19730
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	1.980
High resolution limit [Å]	1.950	5.290	1.950
Rmerge	0.136	0.072	0.677
Rmeas	0.148	0.079	0.768
Rpim	0.058	0.031	0.352
Total number of observations	157183
Number of reflections	25141	1353	1169
<I/σ(I)>	4.8
Completeness [%]	99.5	99.9	94.1
Redundancy	6.3	6.5	4.1
CC(1/2)		0.996	0.746

Crystallization Conditions

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