3QL2

Crystal Structure of Ribonuclease A Variant A4C/D83E/V118C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	C 1 2 1
Unit cell lengths	102.888, 30.694, 74.752
Unit cell angles	90.00, 93.15, 90.00

Refinement procedure

Resolution	31.010 - 1.490
R-factor	0.16939
Rwork	0.167
R-free	0.20913
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7rsa
RMSD bond length	0.025
RMSD bond angle	2.244
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.080		1.530
High resolution limit [Å]	1.490	6.660	1.490
Rmerge	0.040	0.018	0.502
Rmeas		0.023	0.644
Number of reflections	36486	458	1889
<I/σ(I)>	15.23	43.62	1.89
Completeness [%]	94.4	94.2	66.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	293	0.1M sodium acetate, 0.2M ammonium sulfate, 25% (w/v) PEG 4000, 10mM calcium chloride, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K