4PC8

Structure-based protein engineering efforts on the scaffold of a monomeric triosephosphate isomerase yielding a sugar isomerase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-20
Detector	PSI PILATUS 6M
Wavelength(s)	0.920
Spacegroup name	P 43 21 2
Unit cell lengths	62.620, 62.620, 136.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.880 - 1.550
R-factor	0.17546
Rwork	0.173
R-free	0.21649
RMSD bond length	0.016
RMSD bond angle	1.683
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.880	1.580
High resolution limit [Å]	1.550	1.550
Number of reflections	38092
<I/σ(I)>	23.9	1.9
Completeness [%]	99.9	99.8
Redundancy	12.3	12.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	21% PEG6000, 100mM citric acid pH5.5, 5% glycerol, 100mM L-arabinose (no further pH adjustment)