5SWV

Dehydroquinate dehydratase and shikimate dehydrogenase from S. pombe AroM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-30
Detector	DECTRIS EIGER X 9M
Wavelength(s)	.978
Spacegroup name	P 61 2 2
Unit cell lengths	121.797, 121.797, 191.851
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.650
R-factor	0.19632
Rwork	0.194
R-free	0.23279
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.359
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.700
High resolution limit [Å]	2.650	2.650
Rmerge	0.197	0.931
Number of reflections	24880
<I/σ(I)>	12.9	1.7
Completeness [%]	99.4	98
Redundancy	9.9	6.5
CC(1/2)		0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		297	Protein: 6.0 mg/ml, 10 mM Tris (pH 8.3), 1 mM TCEP Crystallization condition 0.2 M Potassium thiocynate and 20% PEG 3350