6TRJ

LEDGF/p75 IBD dimer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-30
Detector	DECTRIS PILATUS 300K
Wavelength(s)	1.54187
Spacegroup name	P 31 2 1
Unit cell lengths	58.748, 58.748, 48.232
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.880 - 1.300
R-factor	0.1393
Rwork	0.137
R-free	0.17670
Structure solution method	AB INITIO PHASING
RMSD bond length	0.014
RMSD bond angle	1.518
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	Arcimboldo
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.880	50.880	1.380
High resolution limit [Å]	1.300	3.880	1.300
Rmerge	0.043	0.033	0.827
Rmeas	0.047	0.035	1.001
Total number of observations	120531
Number of reflections	22048	984	2550
<I/σ(I)>	17.65	58.81	0.96
Completeness [%]	91.8	99.8	66.5
Redundancy	5.467	8.291	2.615
CC(1/2)	0.999	0.999	0.498

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1M DL-Glutamic acid monohydrate; 0.1M DL-Alanine; 0.1M Glycine; 0.1M DL-Lysine monohydrochloride; 0.1M DL-Serine; 0.1 M Tris (base); BICINE pH 8.5; 20% v/v Glycerol; 10% w/v PEG 4000 (Morpheus Molecular Dimensions condition H11)