1QDS

SUPERSTABLE E65Q MUTANT OF LEISHMANIA MEXICANA TRIOSEPHOSPHATE ISOMERASE (TIM)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1999-03-22
Detector	MAR scanner 345 mm plate
Spacegroup name	C 1 2 1
Unit cell lengths	99.260, 52.790, 58.880
Unit cell angles	90.00, 118.09, 90.00

Refinement procedure

Resolution	30.000 - 2.000
Rwork	0.153
R-free	0.19500
RMSD bond length	0.014
RMSD bond angle	2.040
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.060
High resolution limit [Å]	2.000	2.000
Rmerge	0.091	0.169
Total number of observations	98464 *
Number of reflections	17304 *
<I/σ(I)>	11.7
Completeness [%]	94.4	41.4
Redundancy	5.7	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	295	16 % PEG 6000 10 MM PGA, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 22K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	16 (%)
2	1	reservoir	EDTA	1 (mM)
3	1	reservoir	dithiothreitol	1 (mM)
4	1	reservoir		1 (mM)
5	1	reservoir	acetic acid/NaOH	100 (mM)
6	1	reservoir	2-phosphoglycolate	10 (mM)