5G4E

S. enterica HisA mutant D10G, Dup13-15, Q24L, G102A, V106L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	110
Detector technology	CCD
Collection date	2013-04-18
Spacegroup name	P 21 21 21
Unit cell lengths	48.817, 88.830, 117.785
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.097 - 2.650
R-factor	0.2434
Rwork	0.240
R-free	0.29910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g1t
RMSD bond length	0.004
RMSD bond angle	0.757
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.170	0.990
Number of reflections	19821
<I/σ(I)>	9.7	1.7
Completeness [%]	95.2	80.5
Redundancy	4.1	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.2		0.18 M AMMONIUM ACETATE, 0.09 M SODIUM ACETATE, PH 5.15, 27% W/V PEG4000