4K2K

Crystal structure of Staphylococcal nuclease variant Delta+PHS L25A/L36A/I92A 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	31.155, 60.004, 38.879
Unit cell angles	90.00, 95.06, 90.00

Refinement procedure

Resolution	38.730 - 1.650
R-factor	0.1803
Rwork	0.178
R-free	0.21750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.020
RMSD bond angle	1.982
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.680
High resolution limit [Å]	1.650	4.480	1.650
Rmerge	0.042	0.038	0.135
Number of reflections	17188
<I/σ(I)>	16.6
Completeness [%]	99.9	99.2	99.4
Redundancy	6.4	6.4	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	277	20% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K