1EJG

CRAMBIN AT ULTRA-HIGH RESOLUTION: VALENCE ELECTRON DENSITY.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-05-31
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	40.824, 18.498, 22.371
Unit cell angles	90.00, 90.47, 90.00

Refinement procedure

Resolution	22.370 - 0.540
R-factor	0.09 *
Rwork	0.090
R-free	0.09400
RMSD bond length	0.023
RMSD bond angle	2.700
Data reduction software	DREAR
Data scaling software	DREAR
Refinement software	MOLLY

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	0.550
High resolution limit [Å]	0.540	0.540
Rmerge	0.055	0.148
Total number of observations	489969 *
Number of reflections	79869 *
<I/σ(I)>	8.2
Completeness [%]	97.6	100
Redundancy	4.5	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7	293	Teeter, M.M., (1993) J. Mol. Biol., 230, 292. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	drop	ethanol	80 (%(v/v))
3	1	reservoir	ethanol	60 (%)