7QTB

S1 nuclease from Aspergillus oryzae in complex with cytidine-5'-monophosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 1
Unit cell lengths	43.075, 48.459, 65.547
Unit cell angles	107.47, 90.08, 105.70

Refinement procedure

Resolution	44.358 - 1.040
R-factor	0.1097
Rwork	0.109
R-free	0.13070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fb9
RMSD bond length	0.011
RMSD bond angle	1.775
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.358	1.060
High resolution limit [Å]	1.040	1.040
Rmeas	0.053	0.505
Number of reflections	196791	4899
<I/σ(I)>	10.8
Completeness [%]	84.5	42.2
Redundancy	3.6
CC(1/2)	0.999	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	0.2 M Sodium chloride, 0.05 M Calcium chloride, 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350, protein concentration 10 mg/ml