3A4G

Structure of cytochrome P450 vdh from Pseudonocardia autotrophica (trigonal crystal form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-05-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 31
Unit cell lengths	61.675, 61.675, 98.799
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.440 - 1.750
R-factor	0.18748
Rwork	0.185
R-free	0.23624
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jin
RMSD bond length	0.015
RMSD bond angle	1.531
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.075	0.316
Number of reflections	42012
<I/σ(I)>	21.9	3.7
Completeness [%]	99.3	93.2
Redundancy	5.3	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	38% PEG400, 0.1M Bis-tris, pH7.5, 50mM CaCl2, 60mM NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 293K