6CPA

CRYSTAL STRUCTURE OF THE COMPLEX OF CARBOXYPEPTIDASE A WITH A STRONGLY BOUND PHOSPHONATE IN A NEW CRYSTALLINE FORM: COMPARISON WITH STRUCTURES OF OTHER COMPLEXES

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	61.900, 67.200, 76.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 * - 2.000
R-factor	0.193 *
Rwork	0.193
RMSD bond length	0.012
RMSD bond angle	2.800
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	7.520 *
High resolution limit [Å]	2.000 *	2.000 *
Rmerge	0.043 *	0.080 *
Total number of observations	113639 *
Number of reflections	21796 *	1988 *
Completeness [%]	99.0 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	6 (%)	precipitant