5HUR

Crystal structure of Staphylococcal nuclease variant Delta+PHS L25T/I92K 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	2013-01-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1000
Spacegroup name	P 1 21 1
Unit cell lengths	31.072, 60.479, 38.157
Unit cell angles	90.00, 93.62, 90.00

Refinement procedure

Resolution	38.080 - 1.500
R-factor	0.1853
Rwork	0.183
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.014
RMSD bond angle	1.849
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.01.03)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.052	0.051	0.212
Total number of observations	131561
Number of reflections	22450
<I/σ(I)>	19.9		5.54
Completeness [%]	99.3	96.3	97.5
Redundancy	5.9	5.8	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	277	20% MPD, 25 mM potassium phosphate, calcium chloride, pdTp