4XF9

cysteine dioxygenase variant - C93A at pH 8.0 in complex with homocysteine

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 - 1.300
R-factor	0.1595
Rwork	0.157
R-free	0.18570
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ieu
RMSD bond length	0.010
RMSD bond angle	1.265
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]	34.000	1.320
High resolution limit [Å]	1.300	1.300
Number of reflections	43245
<I/σ(I)>	21.3	1.2
Completeness [%]	84.2	36.2
Redundancy	26.7	17.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		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 8.0