6CIN

Crystal structure of pyruvate:ferredoxin oxidoreductase from Moorella thermoacetica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97910
Spacegroup name	C 1 2 1
Unit cell lengths	340.611, 106.634, 239.079
Unit cell angles	90.00, 109.31, 90.00

Refinement procedure

Resolution	88.952 - 2.600
R-factor	0.1965
Rwork	0.195
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c42
RMSD bond length	0.003
RMSD bond angle	0.561
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.640
High resolution limit [Å]	2.600	2.600
Number of reflections	247841	11915
<I/σ(I)>	9.4
Completeness [%]	98.5
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	15-16% (w/v) PEG 4000, 0.21 M (NH4)2SO4 and 0.10 M MES pH 6.0