2XR7

Crystal Structure of Nicotiana tabacum malonyltransferase (NtMat1) complexed with malonyl-coa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Spacegroup name	P 42 21 2
Unit cell lengths	98.079, 98.079, 151.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.100
R-factor	0.23
Rwork	0.226
R-free	0.28900
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.011
RMSD bond angle	1.503
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	Auto-Rickshaw
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.210
High resolution limit [Å]	3.100	3.100
Rmerge	0.110	0.600
Number of reflections	25628
<I/σ(I)>	20	1.7
Completeness [%]	99.4	95.4
Redundancy	4	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.3M AMMONIUM ACETATE, 7% PEG 8K, 10% MPD, PH 5.5
1				0.3M AMMONIUM ACETATE, 7% PEG 8K, 10% MPD, PH 5.5