5CJ5

Structure of Mycobacterium thermoresistibile GlgE APO form at 3.13A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978
Spacegroup name	P 6
Unit cell lengths	197.639, 197.639, 105.623
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	171.160 - 3.130
R-factor	0.2649
Rwork	0.259
R-free	0.30830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cgm
RMSD bond length	0.013
RMSD bond angle	1.832
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	171.160	171.160	3.300
High resolution limit [Å]	3.130	9.900	3.130
Rmerge		0.060	1.541
Rmeas	0.234
Rpim	0.063	0.017	0.447
Total number of observations	563635	17590	82934
Number of reflections	41628
<I/σ(I)>	13	38.3	2.3
Completeness [%]	100.0	100	100
Redundancy	13.5	12.7	13.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	PEG 3350, Bicine pH9.5, Sodium malonate