1KW3

Crystal structure of 2,3-dihydroxybiphenyal dioxygenase (BphC) 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	2000-11-11
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	I 4 2 2
Unit cell lengths	121.760, 121.760, 108.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	87.710 - 1.450
R-factor	0.16213
Rwork	0.161
R-free	0.17700 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.440 *
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	0.081	0.393
Number of reflections	72066
<I/σ(I)>	5	1.9
Completeness [%]	99.9	99.9
Redundancy	11.7	9.7

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))