4NTO

Crystal structure of D60A mutant of Arabidopsis ACD11 (accelerated-cell-death 11) complexed with C2 ceramide-1-phosphate (d18:1/2:0) at 2.15 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97949
Spacegroup name	I 2 2 2
Unit cell lengths	91.820, 103.574, 165.289
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.411 - 2.152
R-factor	0.1981
Rwork	0.196
R-free	0.24040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nt1
RMSD bond length	0.008
RMSD bond angle	1.093
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	2.230
High resolution limit [Å]	2.150	4.630	2.150
Rmerge	0.074	0.031	0.607
Number of reflections	42665
<I/σ(I)>	9.5
Completeness [%]	99.3	96.6	100
Redundancy	4.3	4.2	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2 M sodium malonate, 0.1 M Bis-Tris propane, pH 6.5, 20% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K