9RYG

Bifunctional Non-haem Iron Oxygenase NovR Involved in Novobiocin Biosynthesis with product bound

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-02-27
Detector	ADSC QUANTUM 210
Wavelength(s)	0.934
Spacegroup name	C 1 2 1
Unit cell lengths	86.508, 138.968, 100.615
Unit cell angles	90.00, 101.44, 90.00

Refinement procedure

Resolution	49.356 - 1.791
Rwork	0.161
R-free	0.18830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.826
Data reduction software	MOSFLM (6.2.6)
Data scaling software	SCALA (6.0)
Phasing software	AMoRE
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.105))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.890	1.890
High resolution limit [Å]	1.790	1.790
Rmerge	0.079	0.509
Rmeas	0.086	0.627
Number of reflections	106383	13436
<I/σ(I)>	13.5	2.1
Completeness [%]	97.5	84.7
Redundancy	4.9	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	NULL