6U0W

Crystal structure of Staphylococcal nuclease variant Delta+PHS K133M at cryogenic temperature

Replaces:  6OK9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	77
Detector technology	PIXEL
Collection date	2018-04-02
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	30.927, 60.473, 38.105
Unit cell angles	90.00, 93.02, 90.00

Refinement procedure

Resolution	38.050 - 1.900
R-factor	0.2329
Rwork	0.231
R-free	0.27280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.011
RMSD bond angle	1.572
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.050	38.050	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.024	0.017	0.169
Rmeas	0.028	0.020	0.223
Total number of observations	33216
Number of reflections	10692	133	627
<I/σ(I)>	25.84	57.99	3.84
Completeness [%]	96.3	98.5	77
Redundancy	3.107	2.925	1.766
CC(1/2)	0.999	0.999	0.984

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	22% MPD, 25 mM potassium phosphate, calcium chloride, THP