4GT1

Crystal structure of a MeaB- and MMAA-like GTPase from Mycobacterium tuberculosis bound to 2'-deoxyguanosine diphosphate

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	2012-08-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	C 2 2 21
Unit cell lengths	65.920, 187.820, 66.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.450 - 2.000
R-factor	0.1908
Rwork	0.189
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3md0
RMSD bond length	0.013
RMSD bond angle	1.514
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.048	0.013	0.465
Number of reflections	28337	366	2041
<I/σ(I)>	29.53	89.32	4.66
Completeness [%]	100.0	97.1	100
Redundancy	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.9	289	MytuD.00200.a.A1 at 22 mg/mL with 4 mM dGTP against 0.1 M NaKHPO4, 48% PEG 200, 0.2 M NaCl, crystal tracking ID 236287b6, unique puck ID aqu7-6, pH 5.9, VAPOR DIFFUSION, SITTING DROP, temperature 289K