3QOL

Crystal structure of Staphylococcal nuclease variant D+PHS/V23E at pH 6 determined at 100 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-14
Detector	APEX II CCD
Spacegroup name	P 1 21 1
Unit cell lengths	31.033, 60.453, 37.626
Unit cell angles	90.00, 94.44, 90.00

Refinement procedure

Resolution	37.510 - 1.900
R-factor	0.189
Rwork	0.187
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3BDC WITH NON-PROTEIN ATOMS REMOVED B-FACTORS SET TO 20 AND RESIDUES 23 113-116 CHANGED TO ALA
RMSD bond length	0.018
RMSD bond angle	1.695
Data reduction software	SAINT
Phasing software	PHASER
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.510	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.036	0.214
Number of reflections	11002
<I/σ(I)>	41.19	5.68
Completeness [%]	99.6	99.7
Redundancy	12.13	5.21

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6	277	22% MPD, 25 mM Potassium Phosphate, pdTp, CaCl2, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 277K