2X7Y

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	2006-04-27
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	82.976, 87.880, 159.592
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.540 - 2.100
R-factor	0.20077
Rwork	0.198
R-free	0.24347
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j4s
RMSD bond length	0.014
RMSD bond angle	1.528
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]	60.300	2.120
High resolution limit [Å]	2.100	2.100
Rmerge	0.120	0.550
Number of reflections	68898
<I/σ(I)>	10.47	2.41
Completeness [%]	100.0	100
Redundancy	4.1	4.13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1