4DF7

Crystal structure of Staphylococcal nuclease variant Delta+PHS V23L/V99I 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	31.041, 60.664, 38.239
Unit cell angles	90.00, 93.71, 90.00

Refinement procedure

Resolution	30.980 - 1.500
R-factor	0.1895
Rwork	0.186
R-free	0.22390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.015
RMSD bond angle	1.808
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	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.042	0.039	0.218
Number of reflections	22464
<I/σ(I)>	17.1		5.3
Completeness [%]	98.6	99.1	88.8
Redundancy	6.1	6.3	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	21% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K