3G0T

Crystal structure of putative aspartate aminotransferase (NP_905498.1) from Porphyromonas gingivalis W83 at 1.75 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.94645, 0.97967
Spacegroup name	P 21 21 2
Unit cell lengths	220.440, 54.970, 81.154
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.401 - 1.750
R-factor	0.139
Rwork	0.137
R-free	0.17100
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.647
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.401	34.401	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.097	0.068	0.396
Total number of observations		8726	9940
Number of reflections	96949
<I/σ(I)>	5.515	6.8	1.7
Completeness [%]	96.6	98.8	73.9
Redundancy	6.5	6.8	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	277	NANODROP, 0.20M NaF, 20.0% PEG 3350, No Buffer pH 7.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K