2Y99

Crystal Structure of cis-Biphenyl-2,3-dihydrodiol-2,3-dehydrogenase (BphB)from Pandoraea pnomenusa strain B-356 complex with co-enzyme NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR-H
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-11-15
Detector	MAR scanner 345 mm plate
Spacegroup name	P 43 21 2
Unit cell lengths	76.140, 76.140, 179.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.500
R-factor	0.22003
Rwork	0.217
R-free	0.28631
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bdb
RMSD bond length	0.006
RMSD bond angle	0.972
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	10.000
High resolution limit [Å]	2.500	2.500
Rmerge	0.060	0.250
Number of reflections	18429
<I/σ(I)>	6.7	2.4
Completeness [%]	97.1	99.8
Redundancy	3.7	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				SODIUM MALONATE, PEG3350