4Q12

Crystal structure of a putative uncharacterized protein Rv3404c and likely sugar N-formyltransferase from Mycobacterium tuberculosis bound to uridine diphosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	I 41 3 2
Unit cell lengths	271.940, 271.940, 271.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.850
R-factor	0.1725
Rwork	0.172
R-free	0.19370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pzu
RMSD bond length	0.009
RMSD bond angle	1.414
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.920
High resolution limit [Å]	2.850	12.750	2.850
Rmerge	0.157	0.049	0.654
Number of reflections	40065	522	2915
<I/σ(I)>	21.69	45.1	5.9
Completeness [%]	100.0	97.2	100
Redundancy	24.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	MytuD.17389.a.A1.PW30616 at 19 mg/mL with 2 mM UDP against CHST screen condition E1, 2.0 M NaCl, 10% PEG 6000 with 20% ethylene glycol as cryo-protectant, crystal tracking ID 253215e1, unique puck ID tbx9-1, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K