4OUN

Crystal Structure of Mini-ribonuclease 3 from Bacillus subtilis

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	PIXEL
Collection date	2013-11-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.917152
Spacegroup name	C 2 2 21
Unit cell lengths	41.092, 62.028, 89.388
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.690 - 1.800
R-factor	0.2092
Rwork	0.206
R-free	0.26760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1u61
RMSD bond length	0.015
RMSD bond angle	1.542
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.0)
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.700	44.690	1.910
High resolution limit [Å]	1.800	5.360	1.800
Rmerge	0.091		1.400
Rmeas		0.040	1.468
Number of reflections	10939	461	1732
<I/σ(I)>	17.17	58.11	2.04
Completeness [%]	99.8	100	99.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.2M sodium acetate trihydrate, 0.1M TRIS, 30% PEG4000, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K