1FY9

CRYSTAL STRUCTURE OF THE HEXA-SUBSTITUTED MUTANT OF THE MOLECULAR CHAPERONIN GROEL APICAL DOMAIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW32
Synchrotron site	LURE
Beamline	DW32
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-11-08
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	75.910, 84.520, 35.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.000 - 2.200
R-factor	0.265
Rwork	0.257
R-free	0.29200
Structure solution method	MR
Starting model (for MR)	GROEL(191-376) (PDB ID: 1KID)
RMSD bond length	0.006
RMSD bond angle	0.024
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000	2.330
High resolution limit [Å]	2.200	2.210
Rmerge	0.128	0.470
Total number of observations	131065 *
Number of reflections	11590
<I/σ(I)>	7.5	2.9
Completeness [%]	98.0	90.6
Redundancy	11.3	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	290	0.75-0.9M POTASSIUM TARTRATE, 50MM MES SODIUM, pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 290K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium potassium tartrate	0.75-0.90 (M)
2	1	reservoir	MES sodium	50 (mM)