3GL2

Crystal structure of dicamba monooxygenase bound to dicamba

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9
Spacegroup name	P 32
Unit cell lengths	81.323, 81.323, 159.282
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.000 - 2.100
R-factor	0.19262
Rwork	0.190
R-free	0.24701
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gke
RMSD bond length	0.009
RMSD bond angle	1.134
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.073	0.640
Number of reflections	67158
<I/σ(I)>	23.1	2.5
Completeness [%]	98.4	100
Redundancy	7.4	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	5% PEG 4000, 100 mM sodium acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K