4BHC

CRYSTAL STRUCTURE OF THE M. TUBERCULOSIS O6-METHYLGUANINE METHYLTRANSFERASE R37L VARIANT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 2
Unit cell lengths	59.116, 82.854, 37.908
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.926 - 2.800
R-factor	0.1757
Rwork	0.176
R-free	0.22270
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.009
RMSD bond angle	1.117
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall
Low resolution limit [Å]	40.000
High resolution limit [Å]	2.800
Rmerge	0.080
Number of reflections	4572
<I/σ(I)>	10.2
Completeness [%]	96.2
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		pH 7.5