3A6U

Crystal structure of MutT-8-OXO-dGMP-MN(II) complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL40B2
Synchrotron site	SPring-8
Beamline	BL40B2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-04-24
Detector	ADSC QUANTUM 4
Wavelength(s)	1.2906
Spacegroup name	P 21 21 21
Unit cell lengths	38.234, 56.003, 59.339
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.200 - 2.560
R-factor	0.193
Rwork	0.193
R-free	0.24200
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3a6t
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.560	2.720
High resolution limit [Å]	2.560	2.560
Rmerge	0.077	0.152
Number of reflections	4395
<I/σ(I)>	45.9	22.6
Completeness [%]	99.2	95.7
Redundancy	6.03

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