3TOB

Human MOF E350Q crystal structure with active site lysine partially acetylated

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-11
Detector	ADSC QUANTUM 270
Wavelength(s)	1.075
Spacegroup name	P 21 21 21
Unit cell lengths	45.971, 58.042, 120.338
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.522 - 2.703
R-factor	0.2057
Rwork	0.203
R-free	0.25250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2giv
RMSD bond length	0.009
RMSD bond angle	1.176
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.450	2.450
Rmerge	0.096	0.820
Number of reflections	12662
<I/σ(I)>	6.4	6.6
Completeness [%]	99.6	99.8
Redundancy	16.2	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	25% PEG3350, 0.2 M magnesium chloride, 0.1 M Bis-Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K