4XFC

cysteine dioxygenase variant - Y157F at pH 6.2 unliganded

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]	100
Detector technology	CCD
Collection date	2014-02-13
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 - 1.351
R-factor	0.1517
Rwork	0.149
R-free	0.17810
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ieu
RMSD bond length	0.013
RMSD bond angle	1.255
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.000	1.370
High resolution limit [Å]	1.350	1.350
Number of reflections	40635
<I/σ(I)>	30.1	2.8
Completeness [%]	88.6	45.1
Redundancy	27.5	22.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	293	0.1M tri-sodium citrate pH=5.6, 24% PEG 4000, 0.15M ammonium acetate. 1:1 drop ratio with microseeding.; Soak solution at pH 6.2