1GEB

X-RAY CRYSTAL STRUCTURE AND CATALYTIC PROPERTIES OF THR252ILE MUTANT OF CYTOCHROME P450CAM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	298
Detector technology	CCD
Collection date	2000-02-11
Detector	MAR CCD 165 mm
Wavelength(s)	0.7
Spacegroup name	P 21 21 21
Unit cell lengths	106.430, 103.440, 35.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.030
R-factor	0.187 *
Rwork	0.187
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cpp
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.110
High resolution limit [Å]	2.030	2.030
Rmerge	0.060	0.211
Total number of observations	108401 *
Number of reflections	26966
<I/σ(I)>	8.5	3.1
Completeness [%]	99.9	99.8
Redundancy	4	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5 *	12-15 *	Poulos, T.L., (1982) J. Biol. Chem., 257, 10427. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1		50 (mM)
2	1	1		250 (mM)
3	1	1	dithiothreitol	50 (mM)
4	1	2	ammonium sulphate	66-70 (%sat)