1KW6

Crystal structure of 2,3-dihydroxybiphenyl dioxygenase (BphC) in complex with 2,3-dihydroxybiphenyl at 1.45 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	100
Detector technology	CCD
Collection date	2000-12-07
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	I 4 2 2
Unit cell lengths	121.829, 121.829, 109.357
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	87.700 * - 1.450
R-factor	0.1634
Rwork	0.163
R-free	0.17100 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	87.700 *	1.530
High resolution limit [Å]	1.450	1.450
Rmerge	0.063	0.373
Number of reflections	72435
<I/σ(I)>	7.8	2
Completeness [%]	99.9	99.9
Redundancy	8.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	7.5	12 *	Uragami, Y., (2001) J.Inorg.Biochem., 83, 269. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	10 (mg/ml)
2	1	1	Tris-HCl	100 (mM)
3	1	1	ammonium sulfate	27.7 (%sat)
4	1	1	hexylene glycol	18 (%(v/v))