5NLW

Structure of Nb36 crystal form 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9796
Spacegroup name	C 1 2 1
Unit cell lengths	101.860, 30.040, 32.890
Unit cell angles	90.00, 90.84, 90.00

Refinement procedure

Resolution	32.886 - 1.500
R-factor	0.2042
Rwork	0.199
R-free	0.24840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.485
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.886	32.886	1.540
High resolution limit [Å]	1.500	6.700	1.500
Rmerge	0.053	0.028	0.778
Rmeas	0.063	0.033	0.954
Number of reflections	15244	199	826
<I/σ(I)>	10.26	28.35	1
Completeness [%]	93.9	97.1	70.1
Redundancy	3.381	3.095	2.665
CC(1/2)	0.998	0.998	0.396

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	0.2 M Ammonium Sulfate, 0.1 M Hepes pH 7.5, 25% w/v PEG 3350