3OWF

Crystal structure of Staphylococcal nuclease variant Delta+PHS V66R at cryogenic temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-25
Detector	ADSC QUANTUM 315
Spacegroup name	P 32 2 1
Unit cell lengths	94.509, 94.509, 38.570
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.850
R-factor	0.181
Rwork	0.179
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID: 3BDC RESIDUES 21-141. ALL B-FACTORS WERE SET TO 20 A^2. ARG-66 PHE-113 VAL-114 PHE-115 LYS-116 WERE TRUNCATED TO ALA.
RMSD bond length	0.019
RMSD bond angle	1.693
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.064	0.331
Number of reflections	17185
<I/σ(I)>	17.4
Completeness [%]	99.9	100
Redundancy	21.4	21.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7	277	19% MPD, 25 mM Potassium Phosphate, Calcium Chloride, pdTp, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K