4LGV

X-ray crystal structure of Glucose-6-phosphate 1-dehydrogenase from Mycobacterium avium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.28357
Spacegroup name	P 21 21 21
Unit cell lengths	55.220, 170.210, 225.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.900 - 2.300
R-factor	0.1869
Rwork	0.185
R-free	0.22060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bh9
RMSD bond length	0.014
RMSD bond angle	1.440
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.300
Rmerge	0.820
Number of reflections	94781
<I/σ(I)>	17.39
Completeness [%]	99.3
Redundancy	5.76

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	MCSG1 E4: 0.2 M lithium sulfate, 0.1 M TRIS pH 8.50, 25% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 289K