1P5R

Formyl-CoA Transferase in complex with Coenzyme A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	110
Detector technology	CCD
Collection date	2002-11-21
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9792
Spacegroup name	I 4
Unit cell lengths	151.400, 151.400, 99.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.880 - 2.500
R-factor	0.194
Rwork	0.194
R-free	0.23600
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1p5h
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000 *	2.650
High resolution limit [Å]	2.500	2.500
Rmerge	0.164 *	0.042 *
Number of reflections	38678
<I/σ(I)>	16.4	4.2
Completeness [%]	99.7	98.1
Redundancy	5.4	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291 *	Ricagno, S., (2003) Acta Crystallogr., D59, 1276. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7.5 (mg/ml)
2	1	reservoir	PEG4000	26 (%)
3	1	reservoir	HEPES	100 (mM)	pH7.5
4	1	reservoir		0.5 (M)