1JPZ

Crystal structure of a complex of the heme domain of P450BM-3 with N-Palmitoylglycine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-08-31
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	59.190, 148.356, 64.134
Unit cell angles	90.00, 98.82, 90.00

Refinement procedure

Resolution	30.000 - 1.650
R-factor	0.177 *
Rwork	0.177
R-free	0.19300
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1fag
RMSD bond length	0.010
RMSD bond angle	21.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.031	0.284
Number of reflections	218743
<I/σ(I)>	23.1	1.9
Completeness [%]	84.3	38.3
Redundancy	2.2	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	4 *	6% PEG 3350, 25 mM potassium phosphate, 50 mM magnesium chloride, 50 mM Morpholinoethanesulfonic acid pH 6.0, VAPOR DIFFUSION, HANGING DROP at 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG3350	12 (%(w/v))
2	1	reservoir		150 (mM)
3	1	reservoir	MES	100 (mM)
4	1	drop	protein	12.5 (mg/ml)