3HZX

Crystal Structure of Staphylococcal nuclease variant D+PHS/V66K at pH 9 determined at 100 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OTHER
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-21
Detector	APEX II CCD
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	31.051, 60.439, 37.459
Unit cell angles	90.00, 94.61, 90.00

Refinement procedure

Resolution	37.338 - 2.000
R-factor	0.181
Rwork	0.178
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3BDC (SNase D+PHS) with residues 66 and 113-116 truncated to Ala all waters Ca2+ and THP removed and all b-factors truncated to 20.00A^2
RMSD bond length	0.014
RMSD bond angle	1.492
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	PHASER (2.1.3)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.340	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.028	0.172
Number of reflections	9409
<I/σ(I)>	27.91	5.55
Completeness [%]	99.8	100
Redundancy	14.24	7.42

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	277	39 % MPD, 25 mM Potassium phosphate, pdTp, CaCl2, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K