2OLN

NikD, an unusual amino acid oxidase essential for nikkomycin biosynthesis: closed form at 1.15 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.90000
Spacegroup name	C 1 2 1
Unit cell lengths	78.240, 95.600, 77.900
Unit cell angles	90.00, 118.30, 90.00

Refinement procedure

Resolution	50.000 - 1.150
R-factor	0.1226
R-free	0.14950
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.017
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.170
High resolution limit [Å]	1.150	1.150
Rmerge	0.047	0.205
Number of reflections	160538
<I/σ(I)>	27.3	4.5
Completeness [%]	90.0	46.1
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	100 mM ADA buffer, 28% PEG-1500, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K