3A6T

Crystal structure of MutT-8-OXO-DGMP complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2003-02-15
Detector	MARRESEARCH
Wavelength(s)	0.973
Spacegroup name	P 21 21 21
Unit cell lengths	37.972, 56.007, 59.369
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.660 - 1.960
R-factor	0.178
Rwork	0.178
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a6s
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.080
High resolution limit [Å]	1.960	1.960
Rmerge	0.065	0.181
Number of reflections	9344
<I/σ(I)>	29.6	6.2
Completeness [%]	97.6	93.2
Redundancy	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	288	2.0M AMMONIUM SULFATE, 0.2M POTASSIUM SODIUM TARTRATE, 0.1M TRISODIUM CITRATE, pH 5.60, VAPOR DIFFUSION, HANGING DROP, temperature 288K
1	VAPOR DIFFUSION, HANGING DROP	5.6	288	2.0M AMMONIUM SULFATE, 0.2M POTASSIUM SODIUM TARTRATE, 0.1M TRISODIUM CITRATE, pH 5.60, VAPOR DIFFUSION, HANGING DROP, temperature 288K