5LGC

T48 deacetylase with substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-30
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	40.490, 56.410, 82.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.341 - 2.090
R-factor	0.1868
Rwork	0.185
R-free	0.22250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lfz
RMSD bond length	0.006
RMSD bond angle	0.930
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.210
High resolution limit [Å]	2.090	2.090
Rmerge		0.296
Number of reflections	11021
<I/σ(I)>	17.96	3.69
Completeness [%]	93.9	71.3
Redundancy	4.5	4
CC(1/2)	0.999	0.936

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM MES pH 6.5 15-30% PEG (1.5K; 2K; 3350 or 4K)