5WM1

Structure of the 10S (+)-trans-BP-dG modified Rev1 ternary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	64.002, 64.879, 130.652
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.330 - 1.850
R-factor	0.17195
Rwork	0.170
R-free	0.20649
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2aq4
RMSD bond length	0.009
RMSD bond angle	1.383
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall
Low resolution limit [Å]	45.000
High resolution limit [Å]	1.850
Number of reflections	47446
<I/σ(I)>	26.3
Completeness [%]	99.7
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.25 M sodium citrate pH 6.0 buffer 15-20% PEG3350