3V3H

Kinetic and structural studies of thermostabilized mutants of HCA II.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-09-13
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	42.165, 71.893, 74.576
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.525 - 1.850
R-factor	0.168
Rwork	0.165
R-free	0.22420
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	1.920
High resolution limit [Å]	1.850	3.980	1.850
Rmerge	0.096	0.054	0.477
Number of reflections	19961
<I/σ(I)>	10.1
Completeness [%]	95.5	98.7	93.7
Redundancy	5.3	5	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	30% w/v PEG 4000 0.2M Magnesium chloride hexahydrate 0.1M TRIS hydrochloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K