6M69

Crystal structure of Mycobacterium smegmatis MutT1 in complex with GMPPCP (GDP)

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	192.650, 37.080, 44.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.820 - 1.500
R-factor	0.1901
Rwork	0.188
R-free	0.22260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gg5
RMSD bond length	0.017
RMSD bond angle	1.983
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]	36.740	4.740	1.580
High resolution limit [Å]	1.500	3.350	1.500
Rmerge		0.038	0.610
Rmeas	0.096	0.042	0.676
Rpim	0.041	0.018	0.288
Number of reflections	52698	3173	7523
<I/σ(I)>	9.5	15.4	1.2
Completeness [%]	100.0	100	100
Redundancy	5.4	5.3	5.4
CC(1/2)	0.997

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