3K9Y

Crystal structure of rat mitochondrial P450 24A1 S57D in complex with CYMAL-5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Detector technology	CCD
Collection date	2007-11-07
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	182.297, 81.303, 108.707
Unit cell angles	90.00, 122.44, 90.00

Refinement procedure

Resolution	50.000 - 2.800
Rwork	0.251
R-free	0.31800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tqn
RMSD bond length	0.008
RMSD bond angle	1.605
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.670	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.166	1.332
<I/σ(I)>	7.9	1.1
Completeness [%]	97.0	70.6
Redundancy	2.5	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	15% PEG 3350, 0.1 M Tris-HCl, 0.2M potassium thiocyanate, 0.05M CaCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 290K