5A5W

Crystal structure of Salmonella enterica HisA D7N D176A with ProFAR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-28
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 31 2 1
Unit cell lengths	46.607, 46.607, 197.949
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.363 - 1.600
R-factor	0.1679
Rwork	0.166
R-free	0.20220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ahf
RMSD bond length	0.007
RMSD bond angle	1.198
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.360	1.700
High resolution limit [Å]	1.600	1.600
Rmerge	0.030	0.370
Number of reflections	63157
<I/σ(I)>	20.69	3.5
Completeness [%]	99.5	99.7
Redundancy	3.1	3.18

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		9		0.1 M BICINE PH9.0, 20 % W/V PEG 6000