1F4V

CRYSTAL STRUCTURE OF ACTIVATED CHEY BOUND TO THE N-TERMINUS OF FLIM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-10-15
Detector	ADSC QUANTUM 4
Spacegroup name	P 32 2 1
Unit cell lengths	54.232, 54.233, 347.433
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.220
R-factor	0.217 *
Rwork	0.217
R-free	0.25800
RMSD bond length	0.010
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (0.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.700	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.080	0.318
Total number of observations	121390 *
Number of reflections	28982
<I/σ(I)>	24.9
Completeness [%]	92.9	84.7
Redundancy	4.2	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.4	298	ammonium sulfate, glycerol, Tris, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	8.4	298	ammonium sulfate, glycerol, Tris, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	8.4	298	ammonium sulfate, glycerol, Tris, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	8.4	298	ammonium sulfate, glycerol, Tris, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	1.6 (M)
2	1	reservoir	glycerol	10 (%(v/v))
3	1	reservoir	Tris	100 (mM)