4S2V

E. coli RppH structure, KI soak

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-06-15
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	59.693, 59.693, 81.778
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.539 - 1.700
R-factor	0.1627
Rwork	0.161
R-free	0.19880
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.972
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.074	0.661
Number of reflections	35292
<I/σ(I)>		3.54
Completeness [%]	98.4	96.3
Redundancy	8.8	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	0.1 M Tris-HCl, pH 8.0, 1.5 M K-acetate, 5% (v/v) glycerol and 20 mM CaCl2, VAPOR DIFFUSION, HANGING DROP, temperature 295K