6JDI

Central domain of FleQ H287N mutant in complex with ATPgS and Mg

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97319
Spacegroup name	P 65
Unit cell lengths	105.065, 105.065, 42.642
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.532 - 1.950
R-factor	0.1882
Rwork	0.185
R-free	0.25450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5exp
RMSD bond length	0.009
RMSD bond angle	1.296
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.000	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.061	0.498
Rmeas	0.067	0.549
Number of reflections	19502
<I/σ(I)>	13
Completeness [%]	98.3
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		281	0.2M SODIUM THIOCYANATE, 22% PEG 3350