2C8B

Structure of the ARTT motif Q212A mutant C3bot1 Exoenzyme (Free state, crystal form II)

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	C 1 2 1
Unit cell lengths	62.941, 86.884, 42.896
Unit cell angles	90.00, 117.31, 90.00

Refinement procedure

Resolution	47.140 - 1.700
R-factor	0.192
Rwork	0.191
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gzf
RMSD bond length	0.006
RMSD bond angle	1.048
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]	47.140
High resolution limit [Å]	1.700
Rmerge	0.030
Number of reflections	91829
<I/σ(I)>	17.2
Completeness [%]	100.0
Redundancy	5.5

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