2C0R

CRYSTAL STRUCTURE OF PHOSPHOSERINE AMINOTRANSFERASE FROM BACILLUS CIRCULANS VAR. ALKALOPHILUS AT pH 8.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Collection date	2003-07-04
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	44.783, 90.544, 157.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 1.200
R-factor	0.152
R-free	0.21170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bjn
RMSD bond length	0.011
RMSD bond angle	0.030
Data reduction software	HKL
Data scaling software	HKL
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.240
High resolution limit [Å]	1.200	1.200
Rmerge	0.080	0.510
Number of reflections	171731
<I/σ(I)>	18.83	2.4
Completeness [%]	85.7	74.4
Redundancy	24.86

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		30% PEG 4000, 0.1 M TRIS-HCL BUFFER, PH 8.5, 5% GLYCEROL, 0.2 M SODIUM ACETATE