3M54

SET7/9 Y305F in complex with TAF10 peptide and AdoHcy

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	P 32 2 1
Unit cell lengths	83.725, 83.725, 96.050
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.290 - 1.600
R-factor	0.199
Rwork	0.198
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2f69
RMSD bond length	0.014
RMSD bond angle	1.505
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.059	0.035	0.526
Number of reflections	51912
<I/σ(I)>	12.9
Completeness [%]	99.9	99.4	100
Redundancy	10.5	9.2	11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	293	1.2 M Sodium Citrate, 0.1 M Imidazole pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K