6NDV

FlgE D2 domain K336A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	80
Detector technology	CCD
Collection date	2016-12-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	33.163, 61.344, 43.800
Unit cell angles	90.00, 104.40, 90.00

Refinement procedure

Resolution	34.892 - 1.502
R-factor	0.1596
Rwork	0.158
R-free	0.17770
RMSD bond length	0.005
RMSD bond angle	0.780
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.077
Rmeas	0.085
Rpim	0.034
Number of reflections	26374	2568
<I/σ(I)>	21.5
Completeness [%]	97.2	95.1
Redundancy	5.9	6
CC(1/2)	0.980	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	100 mM HEPES, 2.0 M Ammonium sulfate