4DFA

Crystal structure of Staphylococcal nuclease variant Delta+PHS I92A/L36A 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	31.113, 60.446, 38.309
Unit cell angles	90.00, 93.81, 90.00

Refinement procedure

Resolution	38.220 - 1.404
R-factor	0.1647
Rwork	0.164
R-free	0.18760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.019
RMSD bond angle	1.942
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	1.430
High resolution limit [Å]	1.404	3.830	1.404
Rmerge	0.050	0.049	0.258
Number of reflections	27015
<I/σ(I)>	14.2		5.4
Completeness [%]	98.3	98.9	87.2
Redundancy	6.1	6.3	4.4

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