4IEZ

unliganded Cysteine Dioxygenase at pH 8.0

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	2012-08-12
Detector	ADSC QUANTUM 315r
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	28.800 - 1.390
R-factor	0.159
Rwork	0.153
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.283
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX (1.8_1069)
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall
Low resolution limit [Å]	31.000
High resolution limit [Å]	1.389
Number of reflections	37124
Completeness [%]	87.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		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