3TCR

Crystal structure of a molybdopterin biosynthesis protein from Mycobacterium abscessus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	F 2 3
Unit cell lengths	173.445, 173.445, 173.445
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.300
R-factor	0.174
Rwork	0.173
R-free	0.20070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rfq
RMSD bond length	0.013
RMSD bond angle	1.533
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.350
High resolution limit [Å]	2.280	5.220	2.280
Rmerge	0.128	0.047	0.435
Number of reflections	19650
<I/σ(I)>	17.6		5.2
Completeness [%]	100.0	100	100
Redundancy	8.6	8.5	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	MyabA.00778.a.A1 PS00955 at 78 mg/mL Tris pH 7.5 against JCSG+ condition C12 10% PEG 1000 and 10% PEG 8000 with 25% ethylene glycol as cryo-protection reagent, crystal tracking ID 219940c12, VAPOR DIFFUSION, SITTING DROP, temperature 289K