5AHI

Crystal structure of salmonalla enterica HisA mutant D7N with ProFAR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-04-27
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 61 2 2
Unit cell lengths	85.593, 85.593, 121.310
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.942 - 1.999
R-factor	0.1965
Rwork	0.194
R-free	0.24710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	THE WILD TYPE S. ENTERICA HISA
RMSD bond length	0.009
RMSD bond angle	1.137
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.940	2.120
High resolution limit [Å]	2.000	2.000
Rmerge	0.140	0.790
Number of reflections	17983
<I/σ(I)>	13.8	2.94
Completeness [%]	97.5	79.1
Redundancy	8.5	8.01

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		0.2M LITHIUM SULFATE, 30% W/V PEG 8K, 0.1M SODIUM ACETATE PH4.5, PH 7