4LHO

Crystal Structure of FG41Malonate Semialdehyde Decarboxylase inhibited by 3-bromopropiolate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-12-25
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 3
Unit cell lengths	144.227, 144.227, 144.227
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.609 - 2.224
R-factor	0.166
Rwork	0.164
R-free	0.20240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	The ligand-free FG41 MSAD was used as the search model for molecular replacement.
RMSD bond length	0.012
RMSD bond angle	1.295
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CaspR
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall
Low resolution limit [Å]	102.060
High resolution limit [Å]	2.210
Completeness [%]	96.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	The best crystals for inactivated FG41 MSAD were obtained at 4C from 6-micro liter hanging drops consisting of equal amounts of precipitant solution [0.1 M TRIS buffer, pH 8.5, 2.0 M (NH4)H2PO4] and protein solution (24.5 mg/mL in 10 mM sodium phosphate buffer, pH 8)., VAPOR DIFFUSION, HANGING DROP, temperature 277K