4EQO

Crystal structure of Staphylococcal nuclease variant Delta+PHS V99D 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	2011-08-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.10
Spacegroup name	P 1 21 1
Unit cell lengths	31.106, 60.503, 38.032
Unit cell angles	90.00, 93.07, 90.00

Refinement procedure

Resolution	37.980 - 1.697
R-factor	0.1892
Rwork	0.187
R-free	0.23430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.020
RMSD bond angle	1.894
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	1.730
High resolution limit [Å]	1.697	4.610	1.697
Rmerge	0.052	0.049	0.178
Number of reflections	15559
<I/σ(I)>	20.3
Completeness [%]	99.7	99.6	96
Redundancy	6.3	6.3	5.1

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