6FAS

Crystal structure of VAL1 B3 domain in complex with cognate DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	40.091, 86.577, 65.160
Unit cell angles	90.00, 94.14, 90.00

Refinement procedure

Resolution	43.289 - 1.900
R-factor	0.1742
Rwork	0.170
R-free	0.21660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Structural models of VAL1-B3
RMSD bond length	0.013
RMSD bond angle	1.322
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.290	1.968
High resolution limit [Å]	1.900	1.900
Rmerge	0.029	0.524
Number of reflections	66958	3404
<I/σ(I)>	18.81	2.69
Completeness [%]	99.0	99
Redundancy	3.5	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	0.17 M Ammonium acetate 0.085 M Sodium citrate tribasic dihydrate pH 5.6 25.5% w/v Polyethylene glycol 4,000 15% v/v glycerol