6M72

Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95372
Spacegroup name	P 21 21 2
Unit cell lengths	192.029, 37.090, 44.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.650 - 1.600
R-factor	0.2027
Rwork	0.201
R-free	0.24480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gg5
RMSD bond length	0.015
RMSD bond angle	1.851
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.490	5.060	1.690
High resolution limit [Å]	1.600	3.580	1.600
Rmerge		0.127	0.546
Rmeas	0.167	0.142	0.613
Rpim	0.073	0.062	0.270
Number of reflections	42971	2543	6201
<I/σ(I)>	5.7	4.2	1.3
Completeness [%]	99.4	97.6	100
Redundancy	4.9	4.9	4.9
CC(1/2)	0.983

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.6	298	0.2 M ammonium acetate, 0.1 M sodium acetate trihydrate, 30% w/v PEG 4000