4M56

The Structure of Wild-type MalL from Bacillus subtilis

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	2012-03-17
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9536
Spacegroup name	P 1 21 1
Unit cell lengths	61.650, 100.260, 101.490
Unit cell angles	90.00, 103.28, 90.00

Refinement procedure

Resolution	32.950 - 2.300
R-factor	0.19
Rwork	0.187
R-free	0.24500
RMSD bond length	0.011
RMSD bond angle	1.416
Data reduction software	MOSFLM
Data scaling software	Aimless (0.1.27)
Phasing software	PHASER (2.5.1)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	98.776	34.190	2.370
High resolution limit [Å]	2.300	9.480	2.300
Rmerge	0.159	0.085	0.553
Number of reflections	51131
<I/σ(I)>	4.9	9	1.7
Completeness [%]	95.7	97.5	86.8
Redundancy	2.8	2.9	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	200 mM LiSO4, 20% (w/v) PEG 3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K