4GLE

SacUVDE in complex with 6-4PP-containing DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-12
Detector	ADSC QUANTUM 210
Wavelength(s)	0.934
Spacegroup name	C 2 2 21
Unit cell lengths	57.200, 112.510, 153.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.834 - 2.700
R-factor	0.19475
Rwork	0.191
R-free	0.26184
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tc3
RMSD bond length	0.011
RMSD bond angle	1.569
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0024)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.834	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.121	0.832
Number of reflections	14041
<I/σ(I)>	11.1	1.9
Completeness [%]	99.9	99.2
Redundancy	5.9	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	298	30% PEG2000 MME, 100 mM acetate buffer, pH 4.6, 200 mM ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 298K