3ZV4

CRYSTAL STRUCTURE OF CIS-BIPHENYL-2,3-DIHYDRODIOL-2,3-DEHYDROGENASE (BPHB) FROM PANDORAEA PNOMENUSA STRAIN B-356 IN APO FORM AT 1.8 ANGSTROM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-22
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 43 21 2
Unit cell lengths	75.784, 75.784, 181.782
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.010 - 1.800
R-factor	0.19297
Rwork	0.191
R-free	0.22736
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bdb
RMSD bond length	0.010
RMSD bond angle	1.253
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	70.010
High resolution limit [Å]	1.580	1.800
Rmerge	0.090	0.880
Number of reflections	73356
<I/σ(I)>	13	1.44
Completeness [%]	99.9	100
Redundancy	7.1	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				SODIUM MALONATE, PEG3350