4ZA1

Crystal Structure of NosA Involved in Nosiheptide Biosynthesis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9794
Spacegroup name	P 41 3 2
Unit cell lengths	143.371, 143.371, 143.371
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.500
R-factor	0.263
Rwork	0.179
R-free	0.21500
Structure solution method	SAD
RMSD bond length	0.007
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.092	0.041	0.464
Total number of observations	1483177
Number of reflections	18105
<I/σ(I)>	12
Completeness [%]	100.0	99.8	100
Redundancy	81.9	76.2	81.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	PEG 5100