6BPS

Crystal structure of cysteine-bound ferrous form of the uncrosslinked F2-Tyr157 human cysteine dioxygenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-13
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97919
Spacegroup name	P 65
Unit cell lengths	131.210, 131.210, 34.144
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.877 - 2.100
R-factor	0.1705
Rwork	0.167
R-free	0.20310
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	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.161	0.055	0.976
Rmeas	0.170	0.058	1.054
Rpim	0.054	0.018	0.385
Number of reflections	20119	1064	1018
<I/σ(I)>	5.4
Completeness [%]	99.8	99.2	98.8
Redundancy	9.4	10.2	6.9
CC(1/2)		0.999	0.567

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