6U0O

Crystal structure of a peptidoglycan release complex, SagB-SpdC, in lipidic cubic phase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	156.669, 54.758, 96.418
Unit cell angles	90.00, 107.18, 90.00

Refinement procedure

Resolution	46.980 - 2.600
R-factor	0.2546
Rwork	0.253
R-free	0.27920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fxp
RMSD bond length	0.003
RMSD bond angle	0.478
Data reduction software	XDS (0.85)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.980	2.710
High resolution limit [Å]	2.600	2.600
Rmerge	0.150	1.669
Rpim	0.097
Number of reflections	24207	2870
<I/σ(I)>	4.7	0.8
Completeness [%]	99.3	97.2
Redundancy	5.8
CC(1/2)	0.994	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		298	24-32% PEG400, 0.5M ammonium sulfate, 100mM sodium citrate or sodium acetate pH 4.4-5.0 (4.6 optimal), 35 mg/mL protein