6JSC

Crystal structure of the H434A variant of the C-terminal domain of HtaA from Corynebacterium glutamicum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-23
Detector	RAYONIX MX300HE
Wavelength(s)	0.900
Spacegroup name	P 21 21 21
Unit cell lengths	39.040, 43.150, 199.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.194 - 1.400
R-factor	0.1824
Rwork	0.181
R-free	0.20220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jsa
RMSD bond length	0.005
RMSD bond angle	1.166
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.200	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.067	0.624
Rmeas	0.072	0.670
Rpim	0.026	0.243
Number of reflections	66461	6437
<I/σ(I)>	17.73
Completeness [%]	98.2	96.87
Redundancy	7.4	7.4
CC(1/2)	0.999	0.884

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	4.5 M HCOONA, HEPES pH7.0, 7% sucrose