6BMQ

Crystal structure of Arabidopsis Dehydroquinate dehydratase-shikimate dehydrogenase (T381G mutant) in complex with tartrate and shikimate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-05
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 32 2 1
Unit cell lengths	96.710, 96.710, 115.731
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.656 - 2.077
R-factor	0.1997
Rwork	0.197
R-free	0.25090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gpt
RMSD bond length	0.008
RMSD bond angle	1.083
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.660	2.151
High resolution limit [Å]	2.077	2.077
Rmerge	0.038	0.336
Rmeas	0.054
Rpim	0.038
Number of reflections	38271
<I/σ(I)>	13.5
Completeness [%]	100.0
Redundancy	2
CC(1/2)	0.999	0.727

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	100 mM sodium citrate, pH 4.8, and 2 M ammonium sulfate 20mM quinate 15mg/mL protein