4TWG

The structure of the Molybdopterin biosynthesis Mog protein from Mycobacterium ulcerans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	P 1
Unit cell lengths	52.790, 52.890, 84.220
Unit cell angles	94.92, 101.05, 83.35

Refinement procedure

Resolution	42.992 - 1.850
R-factor	0.1759
Rwork	0.174
R-free	0.21080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g4r
RMSD bond length	0.007
RMSD bond angle	1.069
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1702))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.057	0.025	0.510
Rmeas	0.066	0.029	0.589
Total number of observations	291440
Number of reflections	73949	827	5431
<I/σ(I)>	16.08	42.44	2.72
Completeness [%]	97.7	97.5	96.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	70.49 mg/ml MyulA.00778.A1.PS00783, 200mM NH4 Citrate, 20% PEF 3350, 20% ethylene glycol as cryoprotectant