4KF0

Structure of the A82F P450 BM3 heme domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-24
Detector	ADSC QUANTUM 4
Wavelength(s)	0.95120
Spacegroup name	P 1 21 1
Unit cell lengths	59.130, 147.150, 64.020
Unit cell angles	90.00, 97.54, 90.00

Refinement procedure

Resolution	63.470 - 1.450
R-factor	0.1462
Rwork	0.145
R-free	0.17844
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.025
RMSD bond angle	2.077
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.000	1.500
High resolution limit [Å]	1.450	1.450
Rmerge	0.078	0.355
Number of reflections	178525
Completeness [%]	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	20% PEG 3000, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 277K