3ZI7

STRUCTURE OF FAE SOLVED BY SAD FROM DATA COLLECTED BY DIRECT DATA COLLECTION (DDC) USING THE GROB ROBOT GONIOMETER

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-10
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	65.609, 108.639, 113.317
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.1244
Rwork	0.123
R-free	0.15951
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.020
RMSD bond angle	1.881
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHELXCDE
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.050	0.080
Number of reflections	52409
<I/σ(I)>	28.9	15.2
Completeness [%]	99.2	94.2
Redundancy	7.6	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.2		pH 7.2