4BHB

Crystal structure of Mycobacterium tuberculosis O6-METHYLGUANINE METHYLTRANSFERASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Spacegroup name	P 21 21 2
Unit cell lengths	59.134, 81.752, 38.165
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.896 - 1.800
R-factor	0.228
Rwork	0.227
R-free	0.29380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sfe
RMSD bond length	0.007
RMSD bond angle	1.119
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall
Low resolution limit [Å]	40.000
High resolution limit [Å]	1.800
Rmerge	0.050
Number of reflections	17690
<I/σ(I)>	15.8
Completeness [%]	99.5
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		pH 7.5