6M6Y

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

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	191.909, 37.100, 44.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.450 - 1.500
R-factor	0.2001
Rwork	0.199
R-free	0.22130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gg5
RMSD bond length	0.016
RMSD bond angle	1.879
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]	44.730	4.740	1.580
High resolution limit [Å]	1.500	3.350	1.500
Rmerge		0.082	0.759
Rmeas	0.110	0.089	0.824
Rpim	0.042	0.034	0.317
Number of reflections	52399	3157	7511
<I/σ(I)>	9.9	7.1	1
Completeness [%]	99.9	99.9	100
Redundancy	6.7	6.6	6.6
CC(1/2)	0.995

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