7LV6

The structure of MalL mutant enzyme S536R from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953735
Spacegroup name	P 1 21 1
Unit cell lengths	48.749, 100.999, 61.749
Unit cell angles	90.00, 113.06, 90.00

Refinement procedure

Resolution	33.540 - 1.100
R-factor	0.1265
Rwork	0.126
R-free	0.14510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m56
Data reduction software	XDS (VERSION Nov 1, 2016 BUILT=20161205)
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP (11.6.04)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.850	1.120
High resolution limit [Å]	1.100	1.100
Rmerge	0.107	0.548
Rmeas	0.112	0.592
Rpim	0.031	0.221
Total number of observations	2270037
Number of reflections	208774	9509
<I/σ(I)>	12.7
Completeness [%]	94.2	87.1
Redundancy	10.9	6.9
CC(1/2)	0.998	0.884

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	0.1 M Tris, pH 8.0, 0.2 M ammonium acetate, 18% w/v PEG10000