20GS

GLUTATHIONE S-TRANSFERASE P1-1 COMPLEXED WITH CIBACRON BLUE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-05-31
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	78.176, 90.690, 68.755
Unit cell angles	90.00, 97.73, 90.00

Refinement procedure

Resolution	15.000 - 2.450
R-factor	0.229
Rwork	0.229
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gss
RMSD bond length	0.009
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.540
High resolution limit [Å]	2.450	2.450
Rmerge	0.118	0.391
Number of reflections	16729
<I/σ(I)>	9.2	2.7
Completeness [%]	95.8	93.9
Redundancy	2.97

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	vapor diffusion - hanging drop - streak seeding	6		CRYSTALLISATION PERFORMED USING THE HANGING DROP TECHNIQUE. 2 MICROL OF PROTEIN SOLUTION (8MG/ML) IN 10MM PHOSPHATE BUFFER PH7.0, 1MM EDTA AND 2MM BETA-MERCAPTOETHANOL WAS ADDED TO 2 MICROL OF RESERVOIR SOLUTION. THE RESERVOIR CONTAINED 20-25% AMMONIUM SULFATE, 30-60 MM DITHIOTHREITOL AND 100MM MORPHOLINOETHANESULFONIC ACID BUFFER PH5.4. DROPS WERE STREAK SEEDED AFTER 1 DAY USING A CAT'S WHISKER FROM CRYSTALS GROWN UNDER SIMILAR CONDITIONS. SOLID CIBACRON BLUE WAS SEEDED INTO THE DROP. SIX WEEKS LATER THE CRYSTALS WERE SUBJECTED TO X-RAY ANALYSIS., pH 6.0, vapor diffusion - hanging drop - streak seeding