4WOR

Staphylococcal nuclease in complex with Ca2+ and thymidine-3'-5'-diphosphate (pdTp) at room temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	298
Detector technology	CCD
Collection date	1995-02-17
Detector	PRINCETON 2K
Wavelength(s)	0.908
Spacegroup name	P 41
Unit cell lengths	48.499, 48.499, 63.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.249 - 1.596
R-factor	0.1811
Rwork	0.180
R-free	0.20420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1snc
RMSD bond length	0.017
RMSD bond angle	1.284
Refinement software	PHENIX ((phenix.refine: dev_1779))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.250	1.653
High resolution limit [Å]	1.596	1.596
Rmerge	0.076	0.537
Number of reflections	19093
<I/σ(I)>	8.22	1.55
Completeness [%]	97.6	96.06
Redundancy	2	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.15	277	2-methyl-2,4-pentanediol (MPD), potassium phosphate, thymidine-3',5'-diphosphate (pdTp), Ca2+