5V2D

Crystal structure of Pseudomonas brassicacearum lignostilbene dioxygenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	96.397, 104.673, 104.709
Unit cell angles	90.00, 94.79, 90.00

Refinement procedure

Resolution	48.030 - 1.900
R-factor	0.1629
Rwork	0.161
R-free	0.19340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDBID 2BIW
RMSD bond length	0.021
RMSD bond angle	2.029
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	104.343	48.030	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.018	0.495
Rmeas	0.056	0.022	0.603
Rpim	0.031	0.012	0.341
Total number of observations	495497	15896	71989
Number of reflections	161021
<I/σ(I)>	16.1	50.3	2.5
Completeness [%]	99.0	96.4	99.8
Redundancy	3.1	3.1	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	24% PEG 3350, Bis-Tris 100 mM