4UNK

Crystal structure of human triosephosphate isomerase (mutant N15D)

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]	110
Detector technology	CCD
Collection date	2010-07-28
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	47.628, 70.714, 146.431
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.292 - 2.000
R-factor	0.1817
Rwork	0.179
R-free	0.22420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jk2
RMSD bond length	0.007
RMSD bond angle	1.024
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.810	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.070	0.290
Number of reflections	34112
<I/σ(I)>	10.8	3.6
Completeness [%]	99.7	100
Redundancy	3.5	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		200 MM AMMONIUM ACETATE, 100 MM TRIS PH 8.5, 25% V/VW/V POLYETHYLENE GLYCOL 3350