5CGM

Structure of Mycobacterium thermoresistibile GlgE in complex with maltose at 1.95A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-08-05
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.92
Spacegroup name	P 21 21 21
Unit cell lengths	80.330, 113.900, 220.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.660 - 1.950
R-factor	0.1768
Rwork	0.175
R-free	0.20320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zss
RMSD bond length	0.010
RMSD bond angle	0.990
Data reduction software	MOSFLM
Data scaling software	Aimless (0.1.26)
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.740	37.740	1.980
High resolution limit [Å]	1.950	10.680	1.950
Rmerge	0.187	0.047	1.833
Rpim		0.014	0.512
Total number of observations		13280	99511
Number of reflections	147668
<I/σ(I)>	11.4	35.8	2.2
Completeness [%]	99.9	98	99.9
Redundancy	12.8	13	13.7
CC(1/2)		0.999	0.847

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 300, sodium phosphate-citrate, maltose