9M3I

Crystal structure of the Bre1-Lge1 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2018-11-03
Detector	ADSC QUANTUM 315
Wavelength(s)	1.07
Spacegroup name	P 1 21 1
Unit cell lengths	114.970, 36.290, 170.770
Unit cell angles	90.00, 103.46, 90.00

Refinement procedure

Resolution	45.570 - 3.500
R-factor	0.2899
Rwork	0.288
R-free	0.32500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.510
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.570	45.570	3.590
High resolution limit [Å]	3.500	15.650	3.500
Rmerge	0.069	0.036	2.058
Rmeas	0.075	0.040	2.227
Number of reflections	17531	229	1323
<I/σ(I)>	9.85
Completeness [%]	96.5
Redundancy	6.47
CC(1/2)	0.999	0.999	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	120 mM ammonium citrate (pH 7.0), 12 % polyethylene glycol monomethyl ether (molecular weight 5000 Da), 0.5% beta-mercaptoethanol and 20 mM dithiothreitol