3TP7

Crystal structure of Staphylococcal nuclease variant Delta+PHS V99E at cryogenic temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OTHER
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-06
Detector	BRUKER APEX II
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	31.083, 60.603, 37.957
Unit cell angles	90.00, 93.61, 90.00

Refinement procedure

Resolution	37.880 - 1.900
R-factor	0.1965
Rwork	0.194
R-free	0.24640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.014
RMSD bond angle	1.489
Data reduction software	XPREP (2008/2 for Windows)
Phasing software	PHASER (2.2.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.880	37.880	1.940
High resolution limit [Å]	1.900	5.230	1.900
Rmerge	0.035	0.017	0.316
Number of reflections	11162	561	510
<I/σ(I)>	20.81
Completeness [%]	100.0	99.6	100
Redundancy	13.59	20.06	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	22% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 277K