1HUJ

REFINED STRUCTURE OF YEAST INORGANIC PYROPHOSPHATASE AND ITS K61R MUTANT

Experimental procedure

Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	1995-03-26
Detector	RIGAKU
Spacegroup name	P 1 21 1
Unit cell lengths	69.050, 92.520, 51.580
Unit cell angles	90.00, 99.47, 90.00

Refinement procedure

Resolution	8.000 - 2.100
R-factor	0.209
Rwork	0.209
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	LOW RESOLUTION STRUCTURE (PDB ENTRY 1PYP)
RMSD bond length	0.009
RMSD bond angle	1.100
Data reduction software	DENZO
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.100
Number of reflections	31919
Completeness [%]	91.6
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	microliter drops	6.5	277	CRYSTALLIZATION CONDITIONS: 10 MG/ML PROTEIN IN 0.1 M MES (PH 6.5) BUFFER. 10 MICROLITER DROPS IN 9 WELL DEPRESSION PLATE IN A PLASTIC SANDWICH BOX CONTAINING 15 MILLILITER OF 0.1 M MES(PH 6.5) + 16 % MPD. EVERY ALTERNATE DAY, MPD CONCENTRATION INCREASED BY 1 % UNTIL FINAL CONCENTRATION REACHED 25 %. 4 DEGREE C. WITHIN 15 DAYS, 0.2 X 0.3 X 0.4 MM CRYSTALS., microliter drops, temperature 277K