5I4I

Crystal Structure of Transketolase from Pichia Stipitis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.7
Spacegroup name	C 2 2 21
Unit cell lengths	101.546, 185.506, 98.876
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.691 - 1.060
R-factor	0.1257
Rwork	0.125
R-free	0.13270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gpu
RMSD bond length	0.007
RMSD bond angle	0.999
Data scaling software	HKL-2000
Refinement software	PHENIX ((1.10_2152: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.100
High resolution limit [Å]	1.060	2.280	1.060
Rmerge	0.077	0.052	0.420
Number of reflections	418461
<I/σ(I)>	10.1
Completeness [%]	99.7	96.9	99.9
Redundancy	10.6	7.9	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M MES, 0.1M NaCl, PEG400