4YHY

Crystal structure of 309M3-B in complex with trimethylated Lys

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	2013-03-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	74.979, 100.342, 135.287
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.848 - 1.900
R-factor	0.2078
Rwork	0.206
R-free	0.24220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2r8s 2dd8 1mhp
RMSD bond length	0.007
RMSD bond angle	1.061
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.089	0.587
Number of reflections	79791
<I/σ(I)>	25.4	2.5
Completeness [%]	98.6	84.8
Redundancy	7.2	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	24% PEG 3350, 10% Tacsimate (pH7.0), 10 mM EDTA, 1% MPD, 10 mM Sarcosine