2JDD

Glyphosate N-acetyltransferase bound to acetyl COA and 3-phosphoglycerate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-06-04
Detector	ADSC CCD
Spacegroup name	C 1 2 1
Unit cell lengths	69.828, 48.448, 46.798
Unit cell angles	90.00, 103.57, 90.00

Refinement procedure

Resolution	45.640 - 1.600
R-factor	0.157
Rwork	0.155
R-free	0.19300
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2bsw
RMSD bond length	0.011
RMSD bond angle	1.448
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.600	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.030	0.110
Number of reflections	19905
<I/σ(I)>	41.1	8.3
Completeness [%]	98.7	89.6
Redundancy	3.3	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6		100 MM SODIUM ACETATE, PH 4.6 150-300 MM AMMONIUM SULFATE 20-25% PEG4000 2 MM ACETYL COA 20 MM D-3-PHOSPHOGLYCERATE