9QBL

Crystal structure of Xanthobacter autotrophicus SPARDA mutant lacking DREN nuclease domains

Experimental procedure

Experimental method	MAD
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	2019-07-01
Detector	DECTRIS PILATUS 12M
Wavelength(s)	0.97970,0.97980,0.98000
Spacegroup name	P 21 21 21
Unit cell lengths	72.706, 155.396, 161.338
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.670 - 1.500
R-factor	0.2
Rwork	0.196
R-free	0.23700
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.545
Data reduction software	XDS
Data scaling software	Aimless (version 7.0.020)
Phasing software	Auto-Rickshaw
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	161.340	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.120	1.512
Rmeas	0.127	1.860
Rpim	0.043	0.956
Number of reflections	284306	8990
<I/σ(I)>	10.3	0.6
Completeness [%]	98.2	63.3
Redundancy	16.5	4
CC(1/2)	0.998	0.023

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	280	Protein concentration 6.4 mg/ml. Reservoir: Tris-Bicine pH 8.5 0.1 M; Ammonium Tartrate 0.25M; PEG5000 mme 9% (w/v); Glycerol 2% (v/v). Seeding with microcrystals