3L61

Crystal structure of substrate-free P450cam at 200 mM [K+]

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	65.606, 73.825, 92.428
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.500
R-factor	0.19788
Rwork	0.197
R-free	0.21609
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Structure of P450cam complexed with a tethered substrate analog unpublished
RMSD bond length	0.009
RMSD bond angle	1.284
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.200	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.060	0.541
Number of reflections	72274
<I/σ(I)>	19.4	3.9
Completeness [%]	99.7	100
Redundancy	7	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	279	12-22% PEG 8000, 0.05 M Tris, 200 mM KCl, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 279K