3PZY

Crystal structure of Molybdopterin biosynthesis mog protein from Mycobacterium paratuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-18
Detector	ADSC QUANTUM 315
Wavelength(s)	0.976504
Spacegroup name	P 63
Unit cell lengths	68.650, 68.650, 52.830
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.750 - 1.800
R-factor	0.195
Rwork	0.193
R-free	0.22800
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3oi9
RMSD bond length	0.018
RMSD bond angle	1.566
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC (5.5.0109)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.750		1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.042	0.018	0.519
Number of reflections	13146	145	956
<I/σ(I)>	24.39	59.9	3.3
Completeness [%]	99.3	87.3	99.6
Redundancy	5.48889		5.544979

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	290	Internal tracking number 217822A1. PACT screen condition A1: SPG buffer, pH 4, 25% PEG1500, with protein (MypaA.00778.b.A1 PW29403) at 24.39 mg/ml, vapor diffusion, sitting drop, temperature 290K, VAPOR DIFFUSION, SITTING DROP