3OI9

Crystal structure of molybdenum cofactor synthesis domain from Mycobacterium avium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-12
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 63
Unit cell lengths	68.030, 68.030, 53.170
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.950
R-factor	0.1987
Rwork	0.196
R-free	0.24460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g4r molecule a
RMSD bond length	0.014
RMSD bond angle	1.361
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.046	0.017	0.441
Number of reflections	10275	120	765
<I/σ(I)>	19.07	70	2
Completeness [%]	99.6	94.5	99.6
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	289	29.9 mg/mL MyavA.00778.b.A1 PW28925 against EBS PACT screen condition A8, 0.2 M ammonium chloride, 0.1 M sodium acetate pH 5.0, 20% PEG 6000 with 25% ethylene glycol as cryo-protectant, crystal tracking ID 217062a8, VAPOR DIFFUSION, SITTING DROP