5K00

MELK in complex with NVS-MELK5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-07-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	57.471, 67.403, 104.625
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.840 - 1.770
R-factor	0.1753
Rwork	0.174
R-free	0.19550
RMSD bond length	0.009
RMSD bond angle	0.970
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.403	67.403	1.860
High resolution limit [Å]	1.768	5.590	1.770
Rmerge		0.027	0.504
Rmeas	0.047
Rpim	0.020
Total number of observations	214197
Number of reflections	40469
<I/σ(I)>	20.8	18.6	1.5
Completeness [%]	99.9	99.7	99.9
Redundancy	5.3	4.8	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	100mM Hepes pH 7.6, 0.2M NaCl, 13.3% PEG 3350