1YDV

TRIOSEPHOSPHATE ISOMERASE (TIM)

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	300
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	98.910, 47.640, 118.430
Unit cell angles	90.00, 108.26, 90.00

Refinement procedure

Resolution	10.000 - 2.200
R-factor	0.198
Rwork	0.198
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	TRYPANOSOMAL TIM
RMSD bond length	0.007
RMSD bond angle	23.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.0)
Refinement software	X-PLOR (3.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.089	0.252
Total number of observations	39357 *
Number of reflections	25936
Completeness [%]	92.0	83.9
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	23 *	10 MG/ML PROTEIN IN 12% PEG 6000 IN HEPES BUFFER PH 7.5, 1MM DTT EQUILIBRATED AGAINST 24% PEG 6000 IN HEPES BUFFER PH 7.5, 1MM DTT

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	24 (%(w/v))
2	1	reservoir	HEPES
3	1	reservoir	DTT	1 (mM)
4	1	drop	PEG6000	12 (%(w/v))
5	1	drop	HEPES
6	1	drop	DTT	0.5 (mM)
7	1	drop	protein	10 (mg/ml)