3PKQ

Q83D Variant of S. Enterica RmlA with dGTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-09
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9794
Spacegroup name	P 41
Unit cell lengths	109.400, 109.400, 110.075
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.708 - 2.400
R-factor	0.2148
Rwork	0.212
R-free	0.27080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mp4
RMSD bond length	0.009
RMSD bond angle	1.181
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.085	0.035	0.526
Number of reflections	49418
<I/σ(I)>	9.1
Completeness [%]	97.4	99.7	72.3
Redundancy	5.6	5.8	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Protein Solution (15 mg/ml RmlA Q83s protein, 10mM MOPS pH 7.5, 25mM dGTP) mixed in a 1:1 ratio with the well solution (10% MEPEG5K, 120mM MgCl2, 100mM Tris pH 8.5, 1mM Suramine) Cryoprotected with 20% Ethylene Glycol, 10% MEPEG5K, 120mM MgCl2, 100mM Tris pH 8.5, 1mM Suramine, VAPOR DIFFUSION, HANGING DROP, temperature 298K