1TEC

CRYSTALLOGRAPHIC REFINEMENT BY INCORPORATION OF MOLECULAR DYNAMICS. THE THERMOSTABLE SERINE PROTEASE THERMITASE COMPLEXED WITH EGLIN-C

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	63.250, 72.100, 89.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 * - 2.200
R-factor	0.179 *
RMSD bond length	0.020
RMSD bond angle	0.024 *
Refinement software	GROMOS

Data quality characteristics

	Overall
High resolution limit [Å]	2.200 *
Total number of observations	63206 *
Number of reflections	16310 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	bis-(2-hydroxyethyl)iminotris(hydroxylmethyl)methane	50 (mM)
2	1	reservoir	PEG6000	15 (%)