5CVS

GlgE isoform 1 from Streptomyces coelicolor E423A mutant soaked in maltoheptaose

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	2014-08-01
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9173
Spacegroup name	P 41 21 2
Unit cell lengths	114.080, 114.080, 314.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.830 - 2.300
R-factor	0.1821
Rwork	0.181
R-free	0.20910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cn6
RMSD bond length	0.011
RMSD bond angle	1.442
Data reduction software	XDS
Data scaling software	Aimless (0.3.6)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.830	62.830	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.069	0.030	1.026
Rpim	0.016	0.008	0.245
Total number of observations	1708887	19910	119311
Number of reflections	92902
<I/σ(I)>	27.6	81.2	3.5
Completeness [%]	99.9	99.5	99.4
Redundancy	18.4	16.1	17.9
CC(1/2)	0.999	0.999	0.868

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	NULL