1NM5

R. rubrum transhydrogenase (dI.Q132N)2(dIII)1 asymmetric complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2002-03-01
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	71.939, 73.886, 205.257
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 2.400
R-factor	0.23765
Rwork	0.236
R-free	0.26400 *
Structure solution method	isomorphous replacement
Starting model (for MR)	1hzz
RMSD bond length	0.011
RMSD bond angle	1.325
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Refinement software	REFMAC (5.1.25)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.060 *	0.551 *
Total number of observations	120855 *
Number of reflections	41317 *	5828 *
<I/σ(I)>	17.8	1.7
Completeness [%]	95.3	93.4
Redundancy	2.9	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5 *		Cotton, N.P.J., (2001) Structure, 9, 165. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	MES	100 (mM)
2	1	reservoir	PEG8000	14-17 (%)
3	1	reservoir	ammonium sulfate	100-200 (mM)