1TTI

THREE NEW CRYSTAL STRUCTURES OF POINT MUTATION VARIANTS OF MONOTIM: CONFORMATIONAL FLEXIBILITY OF LOOP-1,LOOP-4 AND LOOP-8

Experimental procedure

Spacegroup name	C 1 2 1
Unit cell lengths	78.780, 46.760, 70.390
Unit cell angles	90.00, 113.99, 90.00

Refinement procedure

Resolution	32.000 - 2.400
R-factor	0.178 *
Rwork	0.178
RMSD bond length	0.020
RMSD bond angle	2.300 *
Phasing software	X-PLOR
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.000
High resolution limit [Å]	2.400	2.400 *
Rmerge	0.065 *
Total number of observations	11293 *
Number of reflections	7034
Completeness [%]	75.0 *	25 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	MES	100 (mM)
2	1	drop	DTT	1 (mM)
3	1	drop	EDTA	1 (mM)
4	1	drop		1 (mM)
5	1	drop	2PG	3 (mM)
6	1	reservoir	PEG6000	22 (%)