6V8W

CDYL2 chromodomain in complex with a synthetic peptide

This is a non-PDB format compatible entry.

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	CCD
Collection date	2016-04-04
Detector	RAYONIX MX300-HS
Wavelength(s)	0.97901
Spacegroup name	P 1 21 1
Unit cell lengths	88.840, 82.160, 128.630
Unit cell angles	90.00, 97.44, 90.00

Refinement procedure

Resolution	36.250 - 2.800
R-factor	0.2077
Rwork	0.204
R-free	0.27050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	from early version of PDB entry 6v2d
RMSD bond length	0.008
RMSD bond angle	1.029
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.250	36.250	2.770
High resolution limit [Å]	2.700	12.080	2.700
Rmerge	0.129	0.039	0.875
Rmeas	0.150	0.046	1.022
Number of reflections	50439	574	3660
<I/σ(I)>	9	25	1.6
Completeness [%]	99.6
Redundancy	3.8	3.4	3.7
CC(1/2)	0.992	0.997	0.541

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	15% PEG8000, 0.2 M MgCl2 and 0.1 M Tris-HCl pH 8.5