9QBP

Crystal structure of Enhydrobacter aerosaccus apo SPARDA complex

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	2019-07-01
Detector	DECTRIS PILATUS 12M
Wavelength(s)	0.98000
Spacegroup name	P 21 21 21
Unit cell lengths	108.179, 127.241, 191.336
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	94.170 - 2.450
R-factor	0.2092
Rwork	0.205
R-free	0.24790
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS (VERSION Mar 15, 2019 BUILT=20190315)
Data scaling software	Aimless (version 0.7.4 : 13/12/18)
Phasing software	MOLREP (version 11.6.04)
Refinement software	PHENIX ((1.20_4459: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	127.240	2.490
High resolution limit [Å]	2.450	2.450
Rmerge	0.080	0.826
Rmeas	0.088	0.895
Rpim	0.034	0.343
Number of reflections	195126	4792
<I/σ(I)>	12.9	2.2
Completeness [%]	99.9	100
Redundancy	6.6	6.7
CC(1/2)	0.998	0.881

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	Crystallization solution: TrisHCl pH 8.5 0.1M; PEG400 20% (w/v) Cryoprotection solution: TrisHCl pH 8 0.1M; PEG400 35%; Ammonium acetate 0.2M