4WYN

The crystal structure of the A109G mutant of RNase A

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	2012-03-07
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.987
Spacegroup name	P 21 21 2
Unit cell lengths	76.174, 51.435, 58.221
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.394 - 1.805
R-factor	0.1484
Rwork	0.146
R-free	0.20320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.293
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.188	0.217	0.280
Rmeas	0.212	0.245	0.357
Rpim	0.096	0.112	0.217
Total number of observations	83203
Number of reflections	21263
<I/σ(I)>	13.6
Completeness [%]	98.9	98.7	90.6
Redundancy	3.9	4.2	2.1
CC(1/2)		0.904	0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.1 M MIB buffer, 20% (w/v) PEG 1,500