4NTG

Crystal structure of D60A mutant of Arabidopsis ACD11 (accelerated-cell-death 11) complexed with C12 ceramide-1-phosphate (d18:1/12:0) at 2.55 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-18
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	H 3 2
Unit cell lengths	101.507, 101.507, 280.732
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.945 - 2.550
R-factor	0.1871
Rwork	0.181
R-free	0.23630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nt1
RMSD bond length	0.008
RMSD bond angle	1.096
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.550	5.490	2.550
Rmerge	0.095	0.046	0.586
Number of reflections	18329
<I/σ(I)>	12.3
Completeness [%]	98.7	97.7	98.5
Redundancy	3.7	3.4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2 M sodium bromide, 0.1 M Bis-Tris propane, pH 7.5, 20% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K