4DGZ

Crystal structure of Staphylococcal nuclease variant Delta+PHS I92A/L125A 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	PIXEL
Collection date	2011-09-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1000
Spacegroup name	P 1 21 1
Unit cell lengths	31.068, 60.399, 38.480
Unit cell angles	90.00, 93.50, 90.00

Refinement procedure

Resolution	32.410 - 1.470
R-factor	0.1773
Rwork	0.174
R-free	0.21260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.018
RMSD bond angle	1.837
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.2.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.500
High resolution limit [Å]	1.470	3.990	1.470
Rmerge	0.054	0.053	0.169
Number of reflections	23894
<I/σ(I)>	19.3		8.3
Completeness [%]	98.5	97.3	86.2
Redundancy	5.9	5.7	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	20% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K