4PIX

Unliganded 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	2013-04-22
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	33.907 - 1.350
R-factor	0.176
Rwork	0.173
R-free	0.20650
RMSD bond length	0.013
RMSD bond angle	1.306
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.000	1.420
High resolution limit [Å]	1.350	1.350
Number of reflections	40379
<I/σ(I)>	12.7	0.6
Completeness [%]	86.2	76.8
Redundancy	23.4	10.2

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