3C8F

4Fe-4S-Pyruvate formate-lyase Activating Enzyme with partially disordered AdoMet

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-06-04
Detector	ADSC QUANTUM 315
Wavelength(s)	1.73542, 1.74166, 1.37755
Spacegroup name	P 31 2 1
Unit cell lengths	58.051, 58.051, 117.466
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.900 - 2.250
R-factor	0.239
Rwork	0.224
R-free	0.29800
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.05)
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.900	2.330
High resolution limit [Å]	2.250	2.250
Number of reflections	11200
<I/σ(I)>	21.1	4.1
Completeness [%]	98.2	98.8
Redundancy	7.3	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.1 M tris, 25% PEG 3350, 0.11 mM octaethylene glycol monododecyl ether, pH 8.5, vapor diffusion, hanging drop, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.1 M tris, 25% PEG 3350, 0.11 mM octaethylene glycol monododecyl ether, pH 8.5, vapor diffusion, hanging drop, temperature 298K