1M32

Crystal Structure of 2-aminoethylphosphonate Transaminase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	1999-03-04
Detector	MARRESEARCH
Wavelength(s)	0.9790, 0.9791, 0.95
Spacegroup name	P 1 21 1
Unit cell lengths	49.600, 155.300, 168.600
Unit cell angles	90.00, 90.60, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.17
Rwork	0.166
R-free	0.20000
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.037	0.152
Total number of observations	496002 *
Number of reflections	264452
<I/σ(I)>	15.5
Completeness [%]	96.8	83

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	4 *	ammonium acetate, sodium citrate, mmPEG5K, PLP, phosphate, DTT, phosphonoacetaldehyde, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	4 *	ammonium acetate, sodium citrate, mmPEG5K, PLP, phosphate, DTT, phosphonoacetaldehyde, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	4 *	ammonium acetate, sodium citrate, mmPEG5K, PLP, phosphate, DTT, phosphonoacetaldehyde, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium acetate	0.2 (M)
2	1	reservoir	sodium citrate	0.1 (M)	pH6.0
3	1	reservoir	PEG5000 MME	10-13 (%)
4	1	drop	protein	18 (mg/ml)
5	1	drop	phosphate	8 (mM)	pH7.5
6	1	drop	dithiothreitol	0.8 (mM)
7	1	drop	phosphonoacetaldehyde	20 (mM)