4PIY

Homocysteine bound Cysteine Dioxygenase C93A variant at pH 6.2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976
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	40.729 - 1.600
R-factor	0.1687
Rwork	0.164
R-free	0.20930
RMSD bond length	0.012
RMSD bond angle	1.277
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.000	1.690
High resolution limit [Å]	1.600	1.600
Number of reflections	28457
<I/σ(I)>	12.1	1.1
Completeness [%]	99.6	99
Redundancy	13.8	13.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	298	Purified enzyme was concentrated to ~8 mg/mL and then added into a crystallization screen containing 0.1 M tri-sodium citrate pH=5.6, 24-34% PEG 4K, and 0.1-0.25 M ammonium acetate. 1.5L of protein solution was added to each well and mixed with an equivalent volume of reservoir solution., pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K