4F8M

Crystal structure of Staphylococcal nuclease variant Delta+PHS V23I/I92V 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	2012-02-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.10000
Spacegroup name	P 1 21 1
Unit cell lengths	31.183, 60.353, 38.232
Unit cell angles	90.00, 93.84, 90.00

Refinement procedure

Resolution	38.150 - 1.600
R-factor	0.1706
Rwork	0.169
R-free	0.19780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.016
RMSD bond angle	1.818
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	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.061	0.056	0.153
Number of reflections	18639
<I/σ(I)>	17.7		12.9
Completeness [%]	99.4	96.7	99.2
Redundancy	5.9	5.4	5.7

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