5F5L

The structure of monooxygenase KstA11 in the biosynthetic pathway of kosinostatin

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	2014-09-26
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9791
Spacegroup name	P 4 21 2
Unit cell lengths	93.748, 93.748, 71.182
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.180 - 1.680
R-factor	0.1312
Rwork	0.129
R-free	0.17690
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.357
Phasing software	PHENIX
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.680
High resolution limit [Å]	1.650	4.480	1.650
Rmerge	0.102	0.057
Rmeas	0.103	0.058
Rpim	0.020	0.011	0.217
Total number of observations	1107719
Number of reflections	39067
<I/σ(I)>	10
Completeness [%]	100.0	99.6	100
Redundancy	28.4	26.1	28.7
CC(1/2)		0.996	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	DL-Malic acid, PEG 3350