1KW9

Crystal structure of 2,3-dihydroxybiphenyl dioxygenase (BphC) in complex with 2,3-dihydroxybiphenyl at 2.0A resolution

Replaces:  1EIM

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	2000-02-05
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	I 4 2 2
Unit cell lengths	121.629, 121.629, 108.753
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.500 * - 1.950
R-factor	0.1619
Rwork	0.161
R-free	0.18300 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.280 *
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]	84.500 *	2.040
High resolution limit [Å]	1.950 *	1.940
Rmerge	0.064
Number of reflections	28532
<I/σ(I)>	9.8
Completeness [%]	93.5	93.5
Redundancy	12.0 *

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))