4MB1

The Structure of MalL mutant enzyme G202P from Bacillus subtilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-28
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	48.500, 101.070, 61.850
Unit cell angles	90.00, 112.86, 90.00

Refinement procedure

Resolution	20.670 - 1.400
R-factor	0.1744
Rwork	0.173
R-free	0.20020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	2.142
Data reduction software	MOSFLM
Data scaling software	Aimless (0.1.27)
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.992	20.660	1.420
High resolution limit [Å]	1.400	7.670	1.400
Rmerge	0.081	0.043	0.584
Total number of observations		4231	35437
Number of reflections	104533
<I/σ(I)>	15.2	35.6	3.3
Completeness [%]	97.2	95.2	94.9
Redundancy	6.8	6.4	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	100 mM Tris pH 7.5, 24% (w/v) PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 291K