6U4S

wild type cysteine dioxygenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	57.454, 57.454, 122.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.550 - 2.490
R-factor	0.1927
Rwork	0.185
R-free	0.26170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2b5h
RMSD bond length	0.014
RMSD bond angle	1.457
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.550	2.590
High resolution limit [Å]	2.490	2.490
Number of reflections	7638	809
<I/σ(I)>	13.5
Completeness [%]	99.2
Redundancy	5.7
CC(1/2)	0.997	0.901

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297.15	0.1 M MES, pH 5.5, 1 M lithium chloride, 22.5% PEG 10,000