4UBE

CRYSTAL STRUCTURE OF M TUBERCULOSIS ADENOSINE KINASE COMPLEXED WITH 2-FLURO ADENOSINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2007-06-07
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5412
Spacegroup name	P 31 2 1
Unit cell lengths	71.916, 71.916, 110.521
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	18.831 - 1.933
R-factor	0.1999
Rwork	0.198
R-free	0.24320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	APO MTB ADK
RMSD bond length	0.008
RMSD bond angle	1.102
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall
Low resolution limit [Å]	62.260
High resolution limit [Å]	1.930
Rmerge	0.190
Number of reflections	23982
Completeness [%]	99.6
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	0.1 M HEPES-NA, PH 7.5 AND 1.4 M TRISODIUM CITRATE DIHYDRATE