3RKO

Crystal structure of the membrane domain of respiratory complex I from E. coli at 3.0 angstrom resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-03
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9789, 0.9790, 0.85, 1.00
Spacegroup name	P 1
Unit cell lengths	94.980, 116.570, 191.370
Unit cell angles	98.51, 104.08, 108.51

Refinement procedure

Resolution	19.991 - 3.000
R-factor	0.2329
Rwork	0.232
R-free	0.28160
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.070
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	SHARP
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.979	29.979	3.160
High resolution limit [Å]	3.000	9.490	3.000
Total number of observations		11318	52731
Number of reflections	139150
<I/σ(I)>	4.2	15.3	0.8
Completeness [%]	95.5	90.4	96
Redundancy	2.6	2.7	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.8	296	0.1M sodium acetate, 0.3M sodium tartrate, 9% PEG4000, 0.15% sodium cholate, 0.1M NDSB-256, pH 4.8, VAPOR DIFFUSION, SITTING DROP, temperature 296K