2DLN

VANCOMYCIN RESISTANCE: STRUCTURE OF D-ALANINE:D-ALANINE LIGASE AT 2.3 ANGSTROMS RESOLUTION

Experimental procedure

Spacegroup name	P 21 21 2
Unit cell lengths	99.300, 51.400, 51.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.300
R-factor	0.172
Rwork	0.172
RMSD bond length	0.013
RMSD bond angle	0.031 *
Phasing software	X-PLOR
Refinement software	PROLSQ

Data quality characteristics

	Overall
High resolution limit [Å]	2.300 *
Rmerge	0.057 *
Total number of observations	11014 *
Number of reflections	83021 *
Completeness [%]	90.0 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	10 (mg/ml)
2	1	drop	ATP	5 (mM)
3	1	drop	2	5 (mM)
4	1	drop	ammonium sulfate	20 (%(v/v))
5	1	drop	HEPES
6	1	drop		1 (mM)
7	1	drop		1 (mM)
8	1	reservoir	ammonium sulfate	45 (%(v/v))
9	1	reservoir	MES