3LXI

Crystal Structure of Camphor-Bound CYP101D1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-03-17
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 64 2 2
Unit cell lengths	151.637, 151.637, 195.403
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.19173
Rwork	0.189
R-free	0.23608
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lxh
RMSD bond length	0.013
RMSD bond angle	1.604
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0044)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.089	0.393
Number of reflections	67612
<I/σ(I)>	35.2	7.4
Completeness [%]	100.0	100
Redundancy	17.6	17.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	291	0.1M Tris, pH 8.2, 12% 1,4-dioxane, 1.6M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 291K