1PPL

CRYSTALLOGRAPHIC ANALYSIS OF TRANSITION-STATE MIMICS BOUND TO PENICILLOPEPSIN: PHOSPHORUS-CONTAINING PEPTIDE ANALOGUES

Experimental procedure

Spacegroup name	C 1 2 1
Unit cell lengths	97.500, 46.460, 65.930
Unit cell angles	90.00, 115.20, 90.00

Refinement procedure

Resolution	8.000 * - 1.700
R-factor	0.148
Rwork	0.148
RMSD bond length	0.024
RMSD bond angle	0.047 *
Phasing software	X-PLOR
Refinement software	PROLSQ

Data quality characteristics

	Overall
Low resolution limit [Å]	60.000 *
High resolution limit [Å]	1.700 *
Rmerge	0.060 *
Total number of observations	88917 *
Number of reflections	26533 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.4 *	18-22 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	complex	10 (mg/ml)
2	1	drop	ammonium sulfate	34-40 (%sat)
3	1	drop		0.1 (M)