5G2I

S. enterica HisA mutant Dup13-15(VVR)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	110
Detector technology	CCD
Collection date	2013-02-14
Detector	ADSC QUANTUM 315r
Spacegroup name	P 61 2 2
Unit cell lengths	86.610, 86.610, 121.290
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.182 - 1.601
R-factor	0.1846
Rwork	0.183
R-free	0.20760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g1t
RMSD bond length	0.006
RMSD bond angle	1.061
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.700
High resolution limit [Å]	1.600	1.600
Rmerge	0.060	0.630
Number of reflections	35940
<I/σ(I)>	42	6
Completeness [%]	99.7	99.9
Redundancy	21	21.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5		0.1 M HEPES PH 7.5 0.8 M NAH2PO4 0.8 M KH2PO4