6LFD

Crystal structure of VMB-1 at pH5.5(Bis-Tris)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97919
Spacegroup name	P 21 21 21
Unit cell lengths	73.110, 97.110, 132.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.690 - 1.920
R-factor	0.2023
Rwork	0.200
R-free	0.23910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jv4
RMSD bond length	0.010
RMSD bond angle	1.452
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.690	1.970
High resolution limit [Å]	1.920	1.920
Number of reflections	72855	5313
<I/σ(I)>	4.2	2.1
Completeness [%]	100.0
Redundancy	13.1
CC(1/2)	0.913	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	289	0.2 M Ammonium sulfate, 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3350