9QBQ

Crystal structure of apo SPARDA complex from Xanthobacter autotrophicus

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	2018-11-22
Detector	DECTRIS PILATUS 12M
Wavelength(s)	0.97970
Spacegroup name	P 1 21 1
Unit cell lengths	127.734, 73.290, 128.001
Unit cell angles	90.00, 115.17, 90.00

Refinement procedure

Resolution	68.550 - 3.000
R-factor	0.2355
Rwork	0.230
R-free	0.28170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.763
Data reduction software	XDS
Data scaling software	Aimless (version 0.7.2)
Phasing software	MOLREP (Vers 11.7.02; 29.05.2019)
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	115.610	3.110
High resolution limit [Å]	3.000	3.000
Rmerge	0.302	3.809
Rmeas	0.335	4.270
Rpim	0.143	2.481
Number of reflections	42973	4209
<I/σ(I)>	3.1	0.4
Completeness [%]	99.0	92.9
Redundancy	5.2	5
CC(1/2)	0.986	0.106

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	Reservoir buffer contained MES pH 6.0 0.1M, Ammonium sulfate 0.24M, PEG8000 11% (w/v).