1UD1

Crystal structure of proglycinin mutant C88S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1998-08-25
Detector	SIEMENS HI-STAR
Wavelength(s)	1.5418
Spacegroup name	P 41
Unit cell lengths	114.340, 114.340, 145.796
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 3.100
R-factor	0.224
Rwork	0.193
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	3.000
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.900	3.200
High resolution limit [Å]	3.100	3.100
Rmerge	0.120 *	0.388 *
Number of reflections	34980 *
<I/σ(I)>	9.15	2.28
Completeness [%]	100.0	100
Redundancy	4.7	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	281	Adachi, M., (2001) J.Mol.Biol., 305, 291. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG6000	8 (%)
3	1	reservoir	MES	0.1 (M)
4	1	reservoir		0.4 (M)