1BTZ

Episelection: novel KI ~nanomolar inhibitors of serine proteases selected by binding or chemistry on an enzyme surface

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	54.840, 58.610, 67.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.000
R-factor	0.134
Rwork	0.134
RMSD bond length	0.014
RMSD bond angle	2.900
Data reduction software	XDS
Data scaling software	XDS
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	8.000 *
High resolution limit [Å]	2.000 *
Rmerge	0.101 *
Total number of observations	24120 *
Number of reflections	8204
Completeness [%]	51.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *			used seeding *