7M5U

Crystal structure of human MPP8 chromodomain in complex with peptidomimetic ligand UNC5246

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.
Spacegroup name	P 63 2 2
Unit cell lengths	87.123, 87.123, 57.802
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.788 - 2.020
R-factor	0.2164
Rwork	0.216
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lwe
RMSD bond length	0.008
RMSD bond angle	0.995
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.450	2.070
High resolution limit [Å]	2.020	2.020
Rmerge	0.044	1.661
Rpim	0.017	0.628
Number of reflections	8912	637
<I/σ(I)>	28.78	1.7
Completeness [%]	99.8	100
Redundancy	13.8	14.5
CC(1/2)	1.000	0.656

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.6	293	100 mM sodium citrate tribasic dihydrate pH 5.6, 100 mM potassium sodium tartrate tetrahydrate, 2.0 M AmSO4