1DCN

INACTIVE MUTANT H162N OF DELTA 2 CRYSTALLIN WITH BOUND ARGININOSUCCINATE

Experimental procedure

Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	120
Spacegroup name	P 1 21 1
Unit cell lengths	94.580, 99.590, 107.140
Unit cell angles	90.00, 101.68, 90.00

Refinement procedure

Resolution	17.000 * - 2.300
R-factor	0.229
Rwork	0.229
R-free	0.29000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1auw
RMSD bond length	0.006 *
RMSD bond angle	18.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE (5.3)
Refinement software	CNS (0.3C)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.079 *	0.233
Total number of observations	194258 *
Number of reflections	77291
Completeness [%]	90.3	96.4 *
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5		pH 8.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme solution	14 (mg/ml)
2	1	drop	Tris-HCl	100 (mM)
3	1	reservoir	PEG MME2000	18 (%(w/v))
4	1	reservoir		200 (mM)
5	1	reservoir	Tris-HCl	100 (mM)