1BRC

RELOCATING A NEGATIVE CHARGE IN THE BINDING POCKET OF TRYPSIN

Experimental procedure

Spacegroup name	P 32 2 1
Unit cell lengths	93.100, 93.100, 62.500
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	? - 2.500
R-factor	0.168
Rwork	0.168
RMSD bond length	0.011
RMSD bond angle	2.800
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	2.200 *
Rmerge	0.089 *
Total number of observations	50400 *
Number of reflections	18200 *
Completeness [%]	73.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *		4 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	10 (mg/ml)
2	1	reservoir	PEG3350	30-45 (%)
3	1	reservoir	ammonium acetate	0.2 (M)
4	1	reservoir	sodium citrate	0.1 (M)