5I0S

Thiosulfate bound Cysteine Dioxygenase at pH 6.2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	80
Detector technology	CCD
Collection date	2015-03-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.977
Spacegroup name	P 43 21 2
Unit cell lengths	57.600, 57.600, 122.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.907 - 1.300
R-factor	0.1768
Rwork	0.174
R-free	0.20150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4EIO
RMSD bond length	0.010
RMSD bond angle	1.012
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((dev_2386: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.930	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.156
Number of reflections	51666
<I/σ(I)>	16.7	0.7
Completeness [%]	99.9	97.5
Redundancy	25.7	13.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	293	0.1 M tri-sodium citrate pH 5.6, 24% PEG 4000, 0.15 M ammonium acetate