1JXT

CRAMBIN MIXED SEQUENCE FORM AT 160 K. PROTEIN/WATER SUBSTATES

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	160
Detector technology	DIFFRACTOMETER
Collection date	1990-12-07
Detector	RIGAKU AFC-5R
Spacegroup name	P 1 21 1
Unit cell lengths	40.840, 18.470, 22.340
Unit cell angles	90.00, 90.80, 90.00

Refinement procedure

Resolution	17.670 - 0.890
R-factor	0.145
Rwork	0.145
Structure solution method	AB INITIO PHASING
Starting model (for MR)	1cnr PRO/LEU SEQUENCE FORM OF CRAMBIN.
RMSD bond length	0.012
RMSD bond angle	0.035
Data reduction software	TEXSAN
Data scaling software	TEXSAN
Phasing software	MADSYS
Refinement software	PROLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.670	0.900
High resolution limit [Å]	0.890	0.890
Rmerge	0.059 *
Number of reflections	26368
<I/σ(I)>	5.8	3.98
Completeness [%]	96.0	85
Redundancy	1	1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7	293	ethanol, pH 7.00, VAPOR DIFFUSION, SITTING DROP, temperature 293K