6OK8

Crystal structure of Staphylococcal nuclease variant Delta+PHS K127L at cryogenic temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	77
Detector technology	PIXEL
Collection date	2018-03-08
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 41
Unit cell lengths	48.097, 48.097, 63.122
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.100 - 1.800
R-factor	0.2001
Rwork	0.199
R-free	0.22530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.015
RMSD bond angle	1.866
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.100	48.100	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.030	0.019	0.101
Rmeas	0.032	0.020	0.134
Number of reflections	12313	155	487
<I/σ(I)>	35.75	60.76	5.34
Completeness [%]	91.8	97.5	48.7
Redundancy	5.877	5.768	1.85
CC(1/2)	1.000	1.000	0.978

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	46% MPD, 25 mM potassium phosphate, calcium chloride, THP