4EQP

Crystal structure of Staphylococcal nuclease variant Delta+PHS I72D 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	2012-03-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.10
Spacegroup name	P 1 21 1
Unit cell lengths	31.167, 60.487, 38.124
Unit cell angles	90.00, 94.28, 90.00

Refinement procedure

Resolution	38.020 - 1.350
R-factor	0.1738
Rwork	0.173
R-free	0.18840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.017
RMSD bond angle	1.832
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	1.370
High resolution limit [Å]	1.350	3.660	1.350
Rmerge	0.054	0.053	0.171
Number of reflections	30978
<I/σ(I)>	16.7
Completeness [%]	100.0	100	100
Redundancy	6.3	6.5	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	20% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K