5KEE

Crystal structure of Staphylococcal nuclease variant Delta+PHS L25K/I92F 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	2013-07-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1000
Spacegroup name	P 21 21 21
Unit cell lengths	32.283, 60.023, 74.175
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.660 - 1.500
R-factor	0.1775
Rwork	0.176
R-free	0.20340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.016
RMSD bond angle	1.674
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0131)

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	0.054	0.052	0.156
Number of reflections	23798
<I/σ(I)>	20.6
Completeness [%]	100.0	99.9	99.8
Redundancy	11.9	10.7	10.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	30% MPD, 25 mM potassium phosphate, calcium chloride, pdTp