6U0X

Crystal structure of Staphylococcal nuclease variant Delta+PHS Q123D at cryogenic temperature

Replaces:  6OKA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	77
Detector technology	PIXEL
Collection date	2018-04-19
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	30.853, 60.715, 38.119
Unit cell angles	90.00, 92.65, 90.00

Refinement procedure

Resolution	38.080 - 1.860
R-factor	0.2111
Rwork	0.208
R-free	0.27170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.013
RMSD bond angle	1.619
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.1)
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.080	38.080	1.900
High resolution limit [Å]	1.860	8.300	1.860
Rmerge	0.038	0.026	0.152
Rmeas	0.046	0.032	0.201
Total number of observations	34575
Number of reflections	11140	139	427
<I/σ(I)>	18.37	30.71	4.62
Completeness [%]	93.1	95.9	47.7
Redundancy	3.104	2.878	1.951
CC(1/2)	0.998	0.996	0.974

Crystallization Conditions

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