7MDE

Full-length S95A ClbP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97920
Spacegroup name	P 42 21 2
Unit cell lengths	97.475, 97.475, 183.973
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.740 - 2.700
Rwork	0.195
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o3v
RMSD bond length	0.007
RMSD bond angle	0.909
Data reduction software	XDS (20190806)
Data scaling software	Aimless (0.7.1)
Phasing software	PHENIX (1.19.1-4122-000)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.740	2.797
High resolution limit [Å]	2.700	2.700
Rmerge	0.211	1.338
Rmeas	0.229	1.447
Rpim	0.089	0.547
Number of reflections	25099	2449
<I/σ(I)>	7.74	1.22
Completeness [%]	99.8	99.96
Redundancy	6.5	6.8
CC(1/2)	0.994	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		295	Precipitant composition: 1 part 0.1M imidazole pH 7.8, 10% (v/v) PEG 400, 150 mM Li2SO4, 5.5 mM (4-(4-bromophenyl)butanoyl)-D-asparagine plus 3.5 parts 0.1M tris pH 7.4, 28%(v/v) PEG400, 100 mM Li2SO4, 4% (v/v) PPG