6SLR

Structure of saposin B in complex with atovaquone

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	2018-08-24
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.873
Spacegroup name	P 32 2 1
Unit cell lengths	75.707, 75.707, 95.475
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.620 - 2.380
R-factor	0.2349
Rwork	0.233
R-free	0.27770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4v2o
RMSD bond length	0.007
RMSD bond angle	1.343
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.620	38.600	2.180
High resolution limit [Å]	1.910	6.455	1.927
Rmerge	0.057	0.028	0.416
Rmeas	0.063	0.031	0.523
Rpim	0.025	0.013	0.312
Number of reflections	14331	717	718
<I/σ(I)>	15.8
Completeness [%]	91.8	98.8	71.1
Redundancy	5.7	5.6	2.4
CC(1/2)	0.999	0.999	0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M MES, 30% PEG6000