4PMB

Crystal structure of Staphylcoccal nuclease variant Delta+PHS I92S at cryogenic temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OTHER
Temperature [K]	110
Detector technology	CCD
Collection date	2013-05-07
Detector	APEX II CCD
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	31.031, 59.964, 38.017
Unit cell angles	90.00, 93.63, 90.00

Refinement procedure

Resolution	37.940 - 1.800
R-factor	0.1979
Rwork	0.196
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.018
RMSD bond angle	1.823
Data reduction software	SAINT (2008/2 for Windows)
Data scaling software	SAINT
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.960	59.960	1.830
High resolution limit [Å]	1.800	4.980	1.800
Rmerge	0.035	0.049	0.227
Total number of observations	120929
Number of reflections	12978	650	464
<I/σ(I)>	18.95	49.69	3.54
Completeness [%]	99.9	100	100
Redundancy	9.08	14.28	5.68

Crystallization Conditions

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