2BS3

GLU C180 -> GLN VARIANT QUINOL:FUMARATE REDUCTASE FROM WOLINELLA SUCCINOGENES

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	277
Detector technology	CCD
Collection date	2001-10-06
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	85.104, 188.766, 117.817
Unit cell angles	90.00, 104.47, 90.00

Refinement procedure

Resolution	38.580 - 2.190
R-factor	0.183
Rwork	0.183
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bs2
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.600	2.240
High resolution limit [Å]	2.190	2.190
Rmerge	0.090	0.360
Number of reflections	182229
<I/σ(I)>	9.5	7.7
Completeness [%]	99.8	100
Redundancy	5.3	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		pH 6.00