2F5O

MutM crosslinked to undamaged DNA sampling G:C base pair IC3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	77
Detector technology	CCD
Collection date	2003-09-06
Detector	ADSC QUANTUM 4
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	45.543, 93.253, 105.257
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.630 - 2.050
Rwork	0.203
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r2y
RMSD bond length	0.017
RMSD bond angle	1.800
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.125	0.514
Number of reflections	26907
<I/σ(I)>	10.5
Completeness [%]	92.9	89.4
Redundancy	4.1	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 77K, temperature 277K