7SSI

CRYSTAL STRUCTURE OF THE DESK:DESR-Q10A COMPLEX IN THE PHOSPHOTRANSFER STATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-02-14
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	88.067, 115.634, 91.374
Unit cell angles	90.00, 116.74, 90.00

Refinement procedure

Resolution	34.410 - 3.410
R-factor	0.2534
Rwork	0.252
R-free	0.28340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5iuk
RMSD bond length	0.008
RMSD bond angle	1.050
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.5.7)
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.410	3.460
High resolution limit [Å]	3.410	3.410
Rmeas	0.172	1.599
Number of reflections	22186	1046
<I/σ(I)>	7.5	0.8
Completeness [%]	99.6	93.8
Redundancy	3.6	3.3
CC(1/2)		0.446

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	PEG3350, tri-potassium citrate