3TK1

Crystal structure of a MeaB and Rv1496 ortholog from Mycobacterium thermoresistible bound to GDP

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	2010-07-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	P 21 21 21
Unit cell lengths	42.380, 106.430, 134.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.400
R-factor	0.2296
Rwork	0.224
R-free	0.27730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3md0
RMSD bond length	0.012
RMSD bond angle	1.492
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		2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.078	0.018	0.519
Number of reflections	23270	238	1743
<I/σ(I)>	17.07	62.89	3.02
Completeness [%]	94.8	72.6	97.8
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	289	MythA.00200.a.A1 PS00590 at 42.4 mg/mL with 2 mM GDP against PACT screen condition B10, 0.2 M MgCl2, 0.1 M MES pH 6.0, 20% PEG 6000 with 25% ethylene glycol as cryo-protectant, crystal tracking ID 215739b10, VAPOR DIFFUSION, SITTING DROP, temperature 289K