2H68

Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-28
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1000
Spacegroup name	C 1 2 1
Unit cell lengths	134.591, 46.359, 112.369
Unit cell angles	90.00, 117.15, 90.00

Refinement procedure

Resolution	37.200 - 1.790
R-factor	0.1671
Rwork	0.166
R-free	0.19198
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1erj
RMSD bond length	0.012
RMSD bond angle	1.347
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.200	1.860
High resolution limit [Å]	1.790	1.790
Rmerge	0.119	0.169
Number of reflections	57801
<I/σ(I)>	10.9	7.5
Completeness [%]	99.6	99.8
Redundancy	3.9	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				Crystals were grown by hanging drop vapour equilibration in Nextal plates as follows: 1 ul of 10 15 mg ml-1 protein solution (10 mM Tris HCl (pH 7.4), 50 mM NaCl, and 10 mM 2-mercaptoethanol) were mixed with 1 ul of well solution composed of 50 mM HEPES (pH 7.5), 100 mM potassium formate, and 10-20% (w/v) polyethylene glycol 3350 and equilibrated at room temperature overnight against 1 ml of well solution.