2QNK

Crystal structure of human 3-hydroxyanthranilate 3,4-dioxygenase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97943, 0.96420
Spacegroup name	P 21 21 21
Unit cell lengths	50.498, 78.227, 85.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.920 - 1.600
R-factor	0.158
Rwork	0.157
R-free	0.17600
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.487
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.400	37.400	1.640
High resolution limit [Å]	1.600	3.950	1.600
Rmerge	0.074	0.048	0.377
Number of reflections	45122
<I/σ(I)>	15.276		4.1037
Completeness [%]	99.7	99.6	96.2
Redundancy	13.7	13.9	9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	Protein solution (10 mg/ml Protein, 0.050 M Sodium chloride, 0.0031 M Sodium azide, 0.0003 M TCEP, 0.005 M Bis-Tris pH 7.0) mixed in a 1:1 ratio with the well solution (50% v/v 2-Methyl-2,4-pentanediol (MPD), 0.1 M PIPES pH 6.5) and cryoprotected with well solution, VAPOR DIFFUSION, HANGING DROP, temperature 277K