5G1T

S. enterica HisA mutant dup13-15, D10G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Collection date	2012-10-05
Spacegroup name	P 61 2 2
Unit cell lengths	87.220, 87.220, 121.860
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.549 - 1.700
R-factor	0.1729
Rwork	0.172
R-free	0.19960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gj1
RMSD bond length	0.007
RMSD bond angle	1.057
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]	50.000	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.050	0.460
Number of reflections	30762
<I/σ(I)>	30.7	5.4
Completeness [%]	99.9	100
Redundancy	10.7	11

Crystallization Conditions

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