4J67

Crystal structure of Ribonuclease A soaked in 50% 1,6-Hexanediol: One of twelve in MSCS set

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-12-15
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	63.812, 63.812, 63.873
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.543 - 1.860
R-factor	0.1882
Rwork	0.185
R-free	0.21960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rph
RMSD bond length	0.008
RMSD bond angle	1.211
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	1.930
High resolution limit [Å]	1.860	4.010	1.860
Rmerge	0.111	0.055	0.759
Number of reflections	12968
<I/σ(I)>	11.1
Completeness [%]	99.4	99.8	96
Redundancy	5.6	6.7	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	35% ammonium sulfate, 1.5 M sodium chloride, 35 mg/mL protein in 20 mM sodium phosphate buffer, pH 6.0, vapor diffusion, hanging drop, temperature 291K