3KE3

Crystal structure of Putative serine-pyruvate aminotransferase (YP_263484.1) from PSYCHROBACTER ARCTICUM 273-4 at 2.20 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-21
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97956,0.97938
Spacegroup name	C 2 2 21
Unit cell lengths	61.645, 98.352, 121.072
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.867 - 2.200
R-factor	0.169
Rwork	0.167
R-free	0.21000
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.543
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.867	29.870	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.125	0.061	0.652
Total number of observations		740	5143
Number of reflections	19035
<I/σ(I)>	8.8	9.7	1.2
Completeness [%]	99.8	95	99.9
Redundancy	3.7	3.2	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	25.0000% polyethylene glycol 4000, 0.2000M ammonium sulfate, 0.1M sodium acetate pH 4.6, Additive: 0.001M pyridoxal-5'-phospate (PLP), NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 293K