2ATF

X-RAY STRUCTURE OF cysteine dioxygenase type I FROM MUS MUSCULUS MM.241056

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2005-08-09
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97915, 0.97933, 0.96392
Spacegroup name	P 43 21 2
Unit cell lengths	57.550, 57.550, 122.076
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.860 - 1.750
R-factor	0.18071
Rwork	0.179
R-free	0.21555
Structure solution method	MAD
RMSD bond length	0.020
RMSD bond angle	1.764
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC (refmac_5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.790
High resolution limit [Å]	1.750	1.750
Rmerge	0.118	0.270
Number of reflections	21529
<I/σ(I)>	15.888	5.25
Completeness [%]	100.0	100
Redundancy	14.2	13.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	273	10 MG/ML PROTEIN, 20% MPEG 5K, 0.16 M CALCIUM CHLORIDE, 0.10 M MES, pH 6.0, vapor diffusion, hanging drop, temperature 273K
1	VAPOR DIFFUSION, HANGING DROP	6	273	10 MG/ML PROTEIN, 20% MPEG 5K, 0.16 M CALCIUM CHLORIDE, 0.10 M MES, pH 6.0, vapor diffusion, hanging drop, temperature 273K
1	VAPOR DIFFUSION, HANGING DROP	6	273	10 MG/ML PROTEIN, 20% MPEG 5K, 0.16 M CALCIUM CHLORIDE, 0.10 M MES, pH 6.0, vapor diffusion, hanging drop, temperature 273K