2J4S

P450 BM3 heme domain in complex with DMSO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-23
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	79.598, 88.297, 151.274
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.780 - 2.100
R-factor	0.193
Rwork	0.190
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.555
Data reduction software	MOSFLM
Data scaling software	TRUNCATE
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.480	2.110
High resolution limit [Å]	2.090	2.090
Rmerge	0.120	0.450
Number of reflections	62273
<I/σ(I)>	9.34	2.04
Completeness [%]	97.4	83.7
Redundancy	3.53	3.21

Crystallization Conditions

crystal ID	method	pH	temperature	details
1