6M65

Crystal structure of Mycobacterium smegmatis MutT1 in complex with GMPPNP (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	192.560, 37.110, 44.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.760 - 1.440
R-factor	0.1831
Rwork	0.181
R-free	0.21480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gg5
RMSD bond length	0.018
RMSD bond angle	2.080
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]	43.630	4.550	1.520
High resolution limit [Å]	1.440	3.220	1.440
Rmerge		0.043	0.750
Rmeas	0.092	0.046	0.809
Rpim	0.034	0.017	0.302
Number of reflections	59223	3570	8513
<I/σ(I)>	12.3	12.9	1
Completeness [%]	99.7	99.8	99.7
Redundancy	7.1	7	7
CC(1/2)	0.998

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