6Y9T

Family GH13_31 enzyme

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	2013-11-03
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.999870
Spacegroup name	P 1 21 1
Unit cell lengths	73.210, 105.300, 92.230
Unit cell angles	90.00, 96.95, 90.00

Refinement procedure

Resolution	50.010 - 2.780
R-factor	0.2625
Rwork	0.258
R-free	0.33650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uok
RMSD bond length	0.012
RMSD bond angle	1.561
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.010	2.950
High resolution limit [Å]	2.780	2.780
Rmeas	0.197
Number of reflections	34239	4768
<I/σ(I)>	8.01
Completeness [%]	97.3
Redundancy	5.1
CC(1/2)	0.994	0.598

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	Protein at 3.6 mg mL-1 in 10 mM MES, pH 6.5, 10 mM NaCl, and 0.5 mM CaCl2. Reservoir: 0.02M each of sodium L-glutamate, DL-alanine, glycine, DL-lysine HCl, DL-serine; buffer system 3 pH 8.5 (0.1 M Bicine and 0.1 M Trizma base), 240% v/v PEG 500 MME; 120% w/v PEG 20000, pH 8.5 (from Morpheus screen) 1:1 protein:reservoir droplet (0.3 ul)