5YZZ

AtVAL1 B3 domain in complex with 13bp-DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97853
Spacegroup name	I 41 2 2
Unit cell lengths	86.896, 86.896, 148.237
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.580
R-factor	0.22757
Rwork	0.226
R-free	0.25522
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yzy
RMSD bond length	0.013
RMSD bond angle	1.895
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.970	2.670
High resolution limit [Å]	2.580	2.580
Rmerge	0.077
Number of reflections	9191
<I/σ(I)>	29.4
Completeness [%]	99.5
Redundancy	13.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% (w/v) PEG 5000 MME, 0.1M Tris base/Hydrochloric acid pH 8.0, 0.2M Lithium sulfate