5C2L

Magnesium soaked into the active site of Mycobacterium tuberculosis anthranilate phosphoribosyltransferase (AnPRT; trpD)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2015-05-31
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	P 21 21 21
Unit cell lengths	79.368, 91.201, 119.865
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.088 - 2.009
R-factor	0.2184
Rwork	0.217
R-free	0.25290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3QR9 chain A
RMSD bond length	0.003
RMSD bond angle	0.714
Data reduction software	XDS (November 3, 2014)
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.000	2.060
High resolution limit [Å]	2.008	2.008
Rmerge	0.138	1.364
Number of reflections	58525
<I/σ(I)>	20.6	2.3
Completeness [%]	99.5	92.4
Redundancy	14.4	12.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.2 M imidazole-malate, 15% PEG4000