4NW3

Crystal structure of MLL CXXC domain in complex with a CpG DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-21
Detector	ADSC QUANTUM 315
Wavelength(s)	1.28231
Spacegroup name	C 1 2 1
Unit cell lengths	70.327, 40.225, 60.959
Unit cell angles	90.00, 93.51, 90.00

Refinement procedure

Resolution	30.000 - 2.820
R-factor	0.2206
Rwork	0.218
R-free	0.26640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 3QMB AND 3QMG
RMSD bond length	0.011
RMSD bond angle	1.326
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.920
High resolution limit [Å]	2.820	6.070	2.820
Rmerge	0.066	0.039	0.951
Rmeas	0.066
Total number of observations	30008
Number of reflections	4229
<I/σ(I)>	12.2
Completeness [%]	99.8	98	100
Redundancy	3.7	3.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	20% PEG3350, 0.05 M sodium tartrate, VAPOR DIFFUSION, temperature 291K