6U4L

cysteine dioxygenase variant - C93E

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-01-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1271
Spacegroup name	P 43 21 2
Unit cell lengths	57.685, 57.685, 122.213
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.930 - 1.911
Rwork	0.175
R-free	0.21730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xf0
RMSD bond length	0.010
RMSD bond angle	1.057
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.690	1.960
High resolution limit [Å]	1.910	1.910
Rmerge	0.085	0.417
Rmeas	0.088	0.441
Rpim	0.017	0.105
Number of reflections	16741	1068
<I/σ(I)>	33.4	7.4
Completeness [%]	99.9	98.2
Redundancy	27
CC(1/2)	0.999	0.959

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297.15	0.1 M sodium acetate, 1 M lithium chloride, 30% PEG 6,000