4XF0

cysteine dioxygenase variant - C93A at pH 8.0 with cysteine

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 - 1.399
R-factor	0.1583
Rwork	0.155
R-free	0.18600
RMSD bond length	0.010
RMSD bond angle	1.277
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.000	1.420
High resolution limit [Å]	1.399	1.399
Number of reflections	37752
<I/σ(I)>	22.5	1.8
Completeness [%]	91.8	54.1
Redundancy	28.1	26.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	293	0.1M tri-sodium citrate pH=5.6, 24% PEG 4000, 0.15M ammonium acetate. 1:1 drop ratio with microseeding.; Soak solution made with addition of 100mM Cys at pH 8.0