1QHM

ESCHERICHIA COLI PYRUVATE FORMATE LYASE LARGE DOMAIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	1999-05-01
Spacegroup name	P 65
Unit cell lengths	140.800, 140.800, 215.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.800
R-factor	0.228 *
Rwork	0.228
R-free	0.25300
Structure solution method	MIRAS
RMSD bond length	0.009
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (0.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.860
High resolution limit [Å]	2.800	2.800
Rmerge	0.045 *	0.195 *
Number of reflections	59411
<I/σ(I)>	22.5	4.7
Completeness [%]	99.4	96.7 *
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.6	294 *	Leppanen, V.-M., (1999) Acta Crystallogr., Sect.D, 55, 531. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30-50 (mg/ml)
2	1	reservoir	HEPES-HCl	100 (mM)	pH7.6
3	1	reservoir	PEG1000	18-24 (%(w/v))