4DU9

Crystal structure of Staphylococcal nuclease variant Delta+PHS I92A/V74A 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	PIXEL
Collection date	2011-09-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1000
Spacegroup name	P 1 21 1
Unit cell lengths	31.050, 60.517, 38.601
Unit cell angles	90.00, 93.85, 90.00

Refinement procedure

Resolution	38.510 - 1.630
R-factor	0.1789
Rwork	0.177
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.015
RMSD bond angle	1.865
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.660
High resolution limit [Å]	1.630	4.420	1.630
Rmerge	0.051	0.045	0.285
Number of reflections	17867
<I/σ(I)>	16.8		11.3
Completeness [%]	99.7	99.1	97.4
Redundancy	12.1	11.7	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	20% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K