6LCV

structure of Mutant S44P of maltooligosyltrehalose synthase from Arthrobacter ramosus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97930
Spacegroup name	P 61 2 2
Unit cell lengths	194.683, 194.683, 200.354
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	21.240 - 2.840
R-factor	0.1619
Rwork	0.160
R-free	0.18910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zcr
RMSD bond length	0.008
RMSD bond angle	0.971
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.890
High resolution limit [Å]	2.840	2.840
Number of reflections	53170	2582
<I/σ(I)>	1.75
Completeness [%]	99.9
Redundancy	25.5
CC(1/2)	0.992	0.668

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	Ammonium citrate tribasic and BIS-TRIS propane