5HYV

Crystal Structure of Transketolase with ThDP from Pichia Stipitis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.974
Spacegroup name	C 2 2 21
Unit cell lengths	100.762, 183.830, 98.986
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.603 - 1.031
R-factor	0.1062
Rwork	0.106
R-free	0.11630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gpu
RMSD bond length	0.009
RMSD bond angle	1.164
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	1.070
High resolution limit [Å]	1.030	2.220	1.030
Rmerge	0.075	0.064	0.686
Total number of observations	3096480
Number of reflections	443954
<I/σ(I)>	16
Completeness [%]	99.3	96.3	98.9
Redundancy	7	10.5	5.2

Crystallization Conditions

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