7P1D

Structure of KDNase from Aspergillus Terrerus in complex with 2-keto-3-deoxynononic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	173
Detector technology	PIXEL
Collection date	2018-12-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9159
Spacegroup name	P 21 2 21
Unit cell lengths	61.652, 67.045, 93.507
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.040 - 1.690
R-factor	0.2023
Rwork	0.200
R-free	0.23790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xcy
RMSD bond length	0.014
RMSD bond angle	1.530
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0218)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.040	1.740
High resolution limit [Å]	1.690	1.690
Number of reflections	43029	2889
<I/σ(I)>	8.3
Completeness [%]	98.4
Redundancy	5.2
CC(1/2)	0.990	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG 6K, 0.1M MES pH6 , 0.2M Calcium Chloride