2C8F

Structure of the ARTT motif E214N mutant C3bot1 Exoenzyme (NAD-bound state, crystal form III)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Spacegroup name	P 1 21 1
Unit cell lengths	44.837, 70.381, 114.688
Unit cell angles	90.00, 97.28, 90.00

Refinement procedure

Resolution	29.880 - 2.500
R-factor	0.237
Rwork	0.232
R-free	0.31600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gzf
RMSD bond length	0.017
RMSD bond angle	1.560
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall
Low resolution limit [Å]	29.880
High resolution limit [Å]	2.500
Rmerge	0.050
Number of reflections	22416
<I/σ(I)>	16.9
Completeness [%]	90.8
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				22.5% PEG 3350 W/W, 100 MM LI2SO4, 100 MM SODIUM CITRATE PH 3.0, 3-10% MPEG 550 V/V