2BIG

Radiation damage of the Schiff base in phosphoserine aminotransferase (structure I)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-07-12
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	143.801, 84.297, 67.264
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 1.300
R-factor	0.1154
R-free	0.15590
Structure solution method	OTHER
RMSD bond length	0.013
RMSD bond angle	0.031
Data reduction software	HKL
Data scaling software	HKL
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.000	1.330
High resolution limit [Å]	1.300	1.300
Rmerge	0.040	0.260
Number of reflections	187887
<I/σ(I)>	96	3.6
Completeness [%]	93.7	94.7
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.2		30% PEG 400, 200 MM MGCL2, 5% GLYCEROL, 100 MM TRIS PH 8.2