9SWX

Basic membrane protein D in complex with cytidine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-12
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.873130
Spacegroup name	P 1
Unit cell lengths	43.280, 57.530, 67.617
Unit cell angles	81.06, 71.37, 77.14

Refinement procedure

Resolution	44.070 - 1.200
Rwork	0.137
R-free	0.17550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	2.039
Data reduction software	XDS (VERSION Jun 30, 2023 BUILT=20230630)
Data scaling software	XSCALE (VERSION Jun 30, 2023 BUILT=20230630)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.075	1.523
Rmeas	0.084	1.688
Rpim	0.036	0.720
Number of reflections	165512	4743
<I/σ(I)>	9.6	1.1
Completeness [%]	88.2	51.3
Redundancy	5.3	5.3
CC(1/2)	0.997	0.390

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Protein solution (~20 mg/ml): 50 mM Tris pH 8.0; 1 mg/ml hygromycin A Well solution: 0.2 M CaCl2, 0.1 M Hepes pH 7.0, 22.5 % PEG6000 Seed stock from an earlier crystallization trial (may have contained very low levels of cytidine): 0.2 M CaCl2, 0.1M Tris pH 8.4, 22.5 % w/v PEG6000 Sitting drops: 1000 nl of protein solution, 660 nl of well solution and 330 nl of seed stock. Cryo solution: 50% MPD was added to the drop to a final concentration of 16% (v/v).