3I7Y

High pressure structure of I106A variant of RNase A (0.48 GPa)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR590
Temperature [K]	293
Detector technology	CCD
Collection date	2006-03-15
Detector	Nonius Kappa CCD
Wavelength(s)	0.7107
Spacegroup name	P 32 2 1
Unit cell lengths	63.947, 63.947, 63.516
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.2
Rwork	0.200
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fs3
RMSD bond length	0.006
RMSD bond angle	1.174
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	2.430
High resolution limit [Å]	2.350	5.060	2.350
Rmerge	0.268	0.135	0.486
Rmeas	0.292
Number of reflections	6398
<I/σ(I)>	5.9
Completeness [%]	97.3	97.5	75.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1