4NTI

Crystal structure of D60N mutant of Arabidopsis ACD11 (accelerated-cell-death 11) complexed with C12 ceramide-1-phosphate (d18:1/12:0) at 2.9 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	2010-10-18
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 32 2 1
Unit cell lengths	118.118, 118.118, 152.378
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.488 - 2.899
R-factor	0.1975
Rwork	0.195
R-free	0.22730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nt1
RMSD bond length	0.003
RMSD bond angle	0.747
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	3.000
High resolution limit [Å]	2.899	6.240	2.899
Rmerge	0.094	0.030	0.682
Number of reflections	27802
<I/σ(I)>	6.5
Completeness [%]	99.9	99.1	100
Redundancy	4.7	4.4	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1 M MIB buffer, pH 8.0, 25% PEG1500, VAPOR DIFFUSION, SITTING DROP, temperature 293K