4J5K

Crystal structure analysis of Streptomyces aureofaciens ribonuclease Sa Y51F mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-07-09
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	38.303, 63.813, 77.624
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.590 - 1.230
R-factor	0.10569
Rwork	0.104
R-free	0.13568
Starting model (for MR)	1t2h
RMSD bond length	0.023
RMSD bond angle	2.108
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	model (structure was used without molecular replacement)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.240
High resolution limit [Å]	1.230	1.230
Rmerge	0.037	0.139
Number of reflections	54845
<I/σ(I)>	29.7	4.9
Completeness [%]	97.8	82.6
Redundancy	2.3	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	Ammonium sulfate 0.9 M, phosphate buffer 0.1 M , pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K