4J61

Crystal structure of Ribonuclease A soaked in 40% Cyclopentanone: 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	63.462, 63.462, 63.927
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.675 - 1.690
R-factor	0.1776
Rwork	0.176
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rph
RMSD bond length	0.007
RMSD bond angle	1.182
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]	50.000	50.000	1.750
High resolution limit [Å]	1.690	3.640	1.690
Rmerge	0.076	0.049	0.606
Number of reflections	17106
<I/σ(I)>	9.7
Completeness [%]	100.0	99.9	100
Redundancy	10.8	10.4	10.1

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