1DY5

Deamidated derivative of bovine pancreatic ribonuclease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-12-15
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	61.314, 37.470, 44.915
Unit cell angles	90.00, 94.55, 90.00

Refinement procedure

Resolution	61.000 - 0.870
R-factor	0.1 *
R-free	0.11980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lsq
RMSD bond length	0.020
RMSD bond angle	0.038
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXL-97
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.000	0.880
High resolution limit [Å]	0.870	0.870
Rmerge	0.053	0.104
Total number of observations	493374 *
Number of reflections	160386
<I/σ(I)>	25.5	6.4
Completeness [%]	96.6	68.8
Redundancy	3.1	1.35

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	5.7	20 *	Capasso, S., (1996) J.Mol.Biol., 257, 492. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	acetic acid	0.1 (M)
2	1	1	protein	20 (mg/ml)	lyophilised
3	1	1	ammonia