5IHA

MELK in complex with NVS-MELK8F

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	2013-02-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000000
Spacegroup name	P 21 21 21
Unit cell lengths	57.152, 67.633, 104.651
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.770 - 1.960
R-factor	0.1747
Rwork	0.173
R-free	0.20220
RMSD bond length	0.010
RMSD bond angle	0.980
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]	67.633	67.633	2.060
High resolution limit [Å]	1.955	6.180	1.960
Rmerge		0.028	0.490
Rmeas	0.058
Rpim	0.024
Total number of observations	160298
Number of reflections	29987
<I/σ(I)>	18.9	18.1	1.5
Completeness [%]	99.8	98.7	100
Redundancy	5.3	4.8	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	100mM Hepes, pH 7.6, 0.2M NaCl, 4.5-16.5% PEG3350