4M8U

The Structure of MalL mutant enzyme V200A 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	2012-04-18
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9536
Spacegroup name	P 1 21 1
Unit cell lengths	48.650, 100.330, 61.360
Unit cell angles	90.00, 112.59, 90.00

Refinement procedure

Resolution	27.280 - 1.450
R-factor	0.1394
Rwork	0.138
R-free	0.16380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.023
RMSD bond angle	2.112
Data reduction software	MOSFLM
Data scaling software	Aimless (0.1.27)
Phasing software	PHASER (2.5.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.639	18.920	1.470
High resolution limit [Å]	1.450	7.940	1.450
Rmerge	0.082	0.050	0.631
Total number of observations		7138	62646
Number of reflections	95401
<I/σ(I)>	21.7	48.3	4.8
Completeness [%]	99.4	92.4	97.3
Redundancy	14	12.7	13.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	100 mM Tris pH 7.5, 22% (w/v) PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 289K