6U4V

Non-crosslinked 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	57.595, 57.595, 122.469
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.640 - 2.300
R-factor	0.1836
Rwork	0.178
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2b5h
RMSD bond length	0.012
RMSD bond angle	1.189
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]	38.640	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	9683	857
<I/σ(I)>	13
Completeness [%]	99.4
Redundancy	7.8
CC(1/2)	0.996	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297.15	0.1 M MES, pH 6.5, 1 M lithium chloride, 24% PEG 20,000