4PJY

Azide bound Cysteine Dioxygenase 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	2013-04-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
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	33.294 - 1.501
R-factor	0.1779
Rwork	0.174
R-free	0.21150
RMSD bond length	0.012
RMSD bond angle	1.283
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.000	1.580
High resolution limit [Å]	1.500	1.500
Number of reflections	33827
<I/σ(I)>	8.6	0.6
Completeness [%]	100.0	100
Redundancy	11.8	11.9

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