1UYU

Xenon COMPLEX OF wildtype P450CAM FROM PSEUDOMONAS PUTIDA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF
Synchrotron site	ESRF
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	67.200, 62.300, 95.300
Unit cell angles	90.00, 90.50, 90.00

Refinement procedure

Resolution	19.840 - 2.000
R-factor	0.19
Rwork	0.187
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dz8
RMSD bond length	0.011
RMSD bond angle	1.421
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.000	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.121	0.483
Number of reflections	53282
<I/σ(I)>	9.3	4.2
Completeness [%]	99.7	99.9
Redundancy	3.82	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	275	CRYSTALS WERE GROWN USING THE SITTING DROP GEOMETRY AT 2 DEG. C. 5 UL OF 30 MG/ML P450 IN 50 MM TRIS HCL, 250 MM KCL, 0.5 MM CAMPHOR WERE MIXED WITH AN EQUAL VOLUME OF THE RESERVOIR SOLUTION (27-30% PEG 4000, 100 MM DTE, SAME BUFFER AS PROTEIN)., pH 7.40