1JTI

Loop-inserted Structure of P1-P1' Cleaved Ovalbumin Mutant R339T

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	2000-11-15
Detector	SIEMENS HI-STAR
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	61.714, 65.465, 68.422
Unit cell angles	89.11, 63.27, 61.72

Refinement procedure

Resolution	15.000 - 2.300
R-factor	0.199
Rwork	0.199
R-free	0.25200
Structure solution method	MIR
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	PHASES
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.384
High resolution limit [Å]	2.240	2.240
Rmerge	0.049 *
Total number of observations	98045 *
Number of reflections	36122
Completeness [%]	95.7	93.3
Redundancy	2.12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6 *	30 *	ammonium sulfate, Bis-Tris, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 303K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	25 (mg/ml)
2	1	drop	sodium phosphate	10 (mM)	pH6.0
3	1	reservoir	ammonium sulfate	47-48 (%)
4	1	reservoir	Bis-Tris	0.05 (M)	pH7.0