2RAA

Crystal structure of pyruvate oxidoreductase subunit PORC (EC 1.2.7.1) (TM0015) from Thermotoga maritima at 2.12 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-30
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 41 21 2
Unit cell lengths	57.252, 57.252, 147.151
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.175 - 2.120
R-factor	0.217
Rwork	0.215
R-free	0.25100
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.690
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.175	45.175	2.200
High resolution limit [Å]	2.120	4.550	2.120
Rmerge	0.066	0.029	0.610
Number of reflections	14544	1602	1480
<I/σ(I)>	16.76	45.8	2.3
Completeness [%]	99.1	96.7	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	NANODROP, 0.8M Ammonium sulfate, 0.1M Citrate pH 4.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
2	VAPOR DIFFUSION, SITTING DROP	3.93	293	NANODROP, 0.86M Ammonium sulfate, 0.1M Citrate pH 3.93, VAPOR DIFFUSION, SITTING DROP, temperature 293K