5CKU

Structure of Aspergillus fumigatus ornithine hydroxylase (SidA) mutant N323A bound to NADP and ornithine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979180
Spacegroup name	I 2 2 2
Unit cell lengths	77.081, 84.002, 145.057
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.690 - 2.100
R-factor	0.1752
Rwork	0.172
R-free	0.22810
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4b63
RMSD bond length	0.007
RMSD bond angle	1.036
Data reduction software	XDS
Data scaling software	Aimless (0.3.6)
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	72.690	72.690	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.131	0.050	0.617
Rpim	0.058	0.022	0.280
Total number of observations	156743	2095	12377
Number of reflections	27670
<I/σ(I)>	9.3	22.6	2.7
Completeness [%]	99.6	94.4	100
Redundancy	5.7	5.5	5.6
CC(1/2)	0.994	0.997	0.861

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	293	0.1 M HEPES, pH 6.6, 1.86 M ammonium sulfate, and 1% (v/v) dioxane. Protein stock solution contained 8 mg/mL enzyme with 1 mM NADP+ and 100 mM L-ornithine.