1FYA

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	75.930, 83.940, 35.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.100 - 2.200
R-factor	0.237
Rwork	0.219
R-free	0.27900
Structure solution method	MR
Starting model (for MR)	GROEL(191-376) (PDB: 1KID)
RMSD bond length	0.005
RMSD bond angle	0.022
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]	38.100	2.340
High resolution limit [Å]	2.200	2.220
Rmerge	0.143	0.398
Total number of observations	41965 *
Number of reflections	10757
<I/σ(I)>	5.4	2.4
Completeness [%]	93.0	89.2
Redundancy	3.8	1.9

Crystallization Conditions

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