4RPI

Crystal Structure of Nicotinate Mononucleotide Adenylyltransferase from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	160
Detector technology	PIXEL
Collection date	2014-05-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97945
Spacegroup name	P 21 21 21
Unit cell lengths	48.980, 124.130, 140.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.831 - 2.417
R-factor	0.2312
Rwork	0.229
R-free	0.25820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.882
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.000	2.510
High resolution limit [Å]	2.417	2.417
Rmerge	0.130
Number of reflections	32648
<I/σ(I)>	5.6	1.6
Completeness [%]	94.9	99
Redundancy	3.8	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	7 mg/ml protein in 150 mM sodium chloride, 20 mM Tris, pH 8.0, 2.5% v/v DMSO, 0.7 mM TCEP mixed 1:1 with 25% PEG3350, 0.1 M HEPES, 0.2 M magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 298K