2X80

P450 BM3 F87A in complex with DMSO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X12
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X12
Temperature [K]	100
Detector technology	CCD
Collection date	2006-04-10
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	82.210, 96.639, 164.197
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.100 - 2.300
R-factor	0.205
Rwork	0.203
R-free	0.24990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j4s
RMSD bond length	0.011
RMSD bond angle	1.289
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.620	2.320
High resolution limit [Å]	2.300	2.300
Rmerge	0.110	0.490
Number of reflections	58691
<I/σ(I)>	12.42	3.17
Completeness [%]	99.7	99.6
Redundancy	6.49	6.42

Crystallization Conditions

crystal ID	method	pH	temperature	details
1