5TPR

Desmethyl-4-deoxygadusol synthase from Anabaena variabilis (Ava_3858) with NAD+ and Zn2+ bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	103
Detector technology	CCD
Collection date	2014-05-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	66.500, 120.261, 133.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.630 - 1.700
R-factor	0.1574
Rwork	0.156
R-free	0.18330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4p53
RMSD bond length	0.008
RMSD bond angle	0.950
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	MR-Rosetta
Refinement software	PHENIX ((dev_2386: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	66.630
High resolution limit [Å]	1.700
Number of reflections	118029
<I/σ(I)>	9.5
Completeness [%]	99.9
Redundancy	27.5
CC(1/2)	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	5% PEG 8000, 0.2 M ammonium sulfate, 0.1 M sodium cacodylate pH 7.0