2A3N

Crystal structure of a putative glucosamine-fructose-6-phosphate aminotransferase (stm4540.s) from salmonella typhimurium lt2 at 1.35 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-06-05
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162, 0.97932, 0.97920
Spacegroup name	C 1 2 1
Unit cell lengths	81.220, 102.610, 49.296
Unit cell angles	90.00, 123.21, 90.00

Refinement procedure

Resolution	28.330 - 1.230
R-factor	0.113
Rwork	0.112
R-free	0.14000
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.630
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.330	28.330	1.260
High resolution limit [Å]	1.230	5.500	1.230
Rmerge	0.067	0.054	0.386
Number of reflections	74674
<I/σ(I)>	6.4	8.6	1.9
Completeness [%]	76.4	99.3	17.3
Redundancy	3.5	3.7	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	8.2	273	0.2M Na3Citrate, 20.0% PEG-3350, No Buffer pH 8.2, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 273K