4WKY

Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmN KS2

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915, 0.97929
Spacegroup name	P 21 21 21
Unit cell lengths	82.271, 100.482, 160.103
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.800 - 2.000
R-factor	0.1605
Rwork	0.159
R-free	0.18910
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.545
Data reduction software	DENZO
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.113	0.055	0.633
Rmeas	0.124	0.060	0.692
Rpim	0.049	0.024	0.274
Total number of observations	575505
Number of reflections	90011
<I/σ(I)>	6.5
Completeness [%]	99.7	99.6	98.8
Redundancy	6.4	6	6.3
CC(1/2)		0.998	0.844

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	0.1M Bis-TRIS HCl pH 6.5, 2M ammonium sulfate