4BI6

CRYSTAL STRUCTURE OF A TRIPLE MUTANT (A198V, C202A AND C222N) OF TRIOSEPHOSPHATE ISOMERASE FROM GIARDIA LAMBLIA. COMPLEXED WITH 2- PHOSPHOGLYCOLIC ACID

Replaces:  2YC6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	90
Detector technology	CCD
Collection date	2009-11-05
Detector	MARRESEARCH
Spacegroup name	I 2 2 2
Unit cell lengths	55.578, 100.474, 118.147
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.550 - 1.450
R-factor	0.19068
Rwork	0.190
R-free	0.20687
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dp3
RMSD bond length	0.006
RMSD bond angle	1.000
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	PHASER (FOR MR)
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.550	1.530
High resolution limit [Å]	1.450	1.450
Rmerge	0.090	0.350
Number of reflections	58919
<I/σ(I)>	3.7	2.1
Completeness [%]	99.9	99.9
Redundancy	6.8	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.6		PROTEIN WAS CRYSTALLYZED FROM 0.5 M SODIUM CHLORIDE, 0.1 M SODIUM CITRATE TRIBASIC DIHYDRATE PH 5.6, 2 % V/V ETHYLENE IMINE POLYMER.