5AHE

Crystal structure of Salmonella enterica HisA

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	CCD
Collection date	2013-04-18
Detector	MARRESEARCH CHESS
Spacegroup name	P 61 2 2
Unit cell lengths	86.769, 86.769, 121.530
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.250 - 1.700
R-factor	0.1758
Rwork	0.174
R-free	0.20620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	A MUTANT SALMONELLA ENTERICA HISA WAS USED WHICH IN TURN HAD BEEN SOLVED USING 4GJ1 AS SEARCH MODEL.
RMSD bond length	0.008
RMSD bond angle	1.105
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]	47.250	1.750
High resolution limit [Å]	1.700	1.700
Rmerge	0.100	1.270
Number of reflections	30376
<I/σ(I)>	21.81	2.82
Completeness [%]	100.0	100
Redundancy	19.1	19.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5		PROTEIN WAS CRYSTALLIZED IN 0.1 M HEPES PH 7.5, 0.8 M NAH2PO4 AND 0.8 M KH2PO4.