3SXH

Crystal structure of Staphylococcal nuclease variant Delta+PHS I92AL103A at cryogenic temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-25
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1000
Spacegroup name	P 1 21 1
Unit cell lengths	31.144, 60.360, 38.357
Unit cell angles	90.00, 93.12, 90.00

Refinement procedure

Resolution	31.100 - 1.400
R-factor	0.1721
Rwork	0.169
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.014
RMSD bond angle	1.675
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.2.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.420
High resolution limit [Å]	1.400	3.800	1.400
Rmerge	0.049	0.041	0.219
Number of reflections	27568
<I/σ(I)>	13.4
Completeness [%]	99.0	93.8	100
Redundancy	6.3	6	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	277	20% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K