4WYP

The crystal structure of the A109G mutant of RNase A in complex with 5'AMP

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	76.776, 51.725, 58.158
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.038 - 1.502
R-factor	0.1526
Rwork	0.151
R-free	0.18560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wyn
RMSD bond length	0.010
RMSD bond angle	1.297
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.142	0.177	0.434
Rmeas	0.158	0.197	0.488
Rpim	0.068	0.085	0.220
Total number of observations	169142
Number of reflections	35457
<I/σ(I)>	15.4
Completeness [%]	94.6	96	87
Redundancy	4.8	4.7	4.5
CC(1/2)		0.965	0.873

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	MIB Buffer, PEG 6,000