6D08

Crystal structure of an engineered bump-hole complex of mutant human chromobox homolog 1 (CBX1) with H3K9bn peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-08-01
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	33.191, 34.052, 35.267
Unit cell angles	76.79, 89.89, 65.10

Refinement procedure

Resolution	23.283 - 2.100
R-factor	0.2293
Rwork	0.227
R-free	0.25240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6d07
RMSD bond length	0.002
RMSD bond angle	0.445
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.950	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.047	0.142
Number of reflections	7149
<I/σ(I)>	16.2	3.8
Completeness [%]	90.4	87.4
Redundancy	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M citrate, pH 5.0, 3 M ammonium sulfate