6BPR

Crystal structure of cysteine, nitric oxide-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	131.306, 131.306, 34.175
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.827 - 1.960
R-factor	0.1628
Rwork	0.161
R-free	0.18800
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	1.990
High resolution limit [Å]	1.960	5.320	1.960
Rmerge	0.143	0.058	0.999
Total number of observations	273552
Number of reflections	24681	1326	1224
<I/σ(I)>	5
Completeness [%]	100.0	99.7	100
Redundancy	11.1	10.2	11

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