2J24

The functional role of the conserved active site proline of triosephosphate isomerase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-08-16
Detector	MAR scanner 345 mm plate
Spacegroup name	P 1
Unit cell lengths	37.500, 43.720, 71.270
Unit cell angles	80.49, 79.61, 64.66

Refinement procedure

Resolution	19.210 - 2.100
R-factor	0.153
Rwork	0.149
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tim
RMSD bond length	0.017
RMSD bond angle	1.638
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.070	0.130
Number of reflections	22102
<I/σ(I)>	13.8	8.67
Completeness [%]	94.5	92.2
Redundancy	2.65	2.63

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		WELL SOLUTION: 0.1 M TEA PH 7.0, 27% PEG 2K MME AND 0.2 M KSCN PROTEIN SOLUTION: 11 MG/ML PROTEIN, 0.02 M TRIS/HCL PH 7.0, 0.1 M NACL, 1 MM DTT, 1 MM EDTA AND 1 MM NAN3.