5IK1

Open state of P450cam after soaking in camphor

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	2014-01-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	65.540, 73.800, 90.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.150 - 1.530
R-factor	0.1808
Rwork	0.179
R-free	0.20520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l62
RMSD bond length	0.032
RMSD bond angle	2.733
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	MOLREP (10.2.35)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	57.128	34.155	1.610
High resolution limit [Å]	1.530	4.840	1.530
Rmerge		0.051	0.426
Rmeas	0.070
Rpim	0.031
Total number of observations	301754
Number of reflections	66465
<I/σ(I)>	13.4	11.2	1.8
Completeness [%]	99.7	94.9	100
Redundancy	4.5	4.5	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	100 mM Bis-Tris 10-22 % PEG 8000 200 mM KCl