3I7X

High pressure structure of I106A RNase A variant (0.35 GPa)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	ENRAF-NONIUS FR590
Temperature [K]	293
Detector technology	CCD
Collection date	2005-08-03
Detector	Nonius Kappa CCD
Wavelength(s)	0.7107
Spacegroup name	P 32 2 1
Unit cell lengths	64.340, 64.340, 63.633
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.600
Rwork	0.188
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fs3
RMSD bond length	0.007
RMSD bond angle	1.204
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	99.000	99.000	2.640
High resolution limit [Å]	2.550	5.490	2.550
Rmerge	0.193	0.107	0.528
Rmeas	0.193
Number of reflections	5234
<I/σ(I)>	9.5
Completeness [%]	97.9	92.4	98.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	ammonium sulfate, sodium chloride, sodium acetate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K