1KWC

The His145Ala mutant of 2,3-dihydroxybiphenyl dioxygenase in complex with 2,3-dihydroxybiphenyl

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-18B
Synchrotron site	Photon Factory
Beamline	BL-18B
Temperature [K]	100
Detector technology	CCD
Collection date	2000-10-08
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	I 4 2 2
Unit cell lengths	121.595, 121.595, 109.068
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.500 * - 2.100
R-factor	0.17527
Rwork	0.174
R-free	0.20100 *
RMSD bond length	0.018
RMSD bond angle	1.670 *
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 *	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.090 *	0.302
Number of reflections	24136
<I/σ(I)>	6.8
Completeness [%]	100.0	100
Redundancy	4.8 *	6.3

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))