2OG6

Crystal structure of asparagine oxygenase in complex with Fe(II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	100
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	90.733, 90.733, 89.791
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.916
R-factor	0.17
Rwork	0.169
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dry
RMSD bond length	0.007
RMSD bond angle	1.193
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.070	0.416
Number of reflections	33610
<I/σ(I)>	38.3	2.1
Completeness [%]	98.6	78.8
Redundancy	7.74

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291	2.5 M sodium acetate, 0.1 M Hepes, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 291K