5HGX

Crystal Structure of Transketolase mutant - H261F 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 315r
Wavelength(s)	0.974
Spacegroup name	C 2 2 21
Unit cell lengths	101.148, 184.556, 98.848
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.871 - 1.090
R-factor	0.1066
Rwork	0.106
R-free	0.12170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gpu
RMSD bond length	0.009
RMSD bond angle	1.172
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	1.130
High resolution limit [Å]	1.090	2.350	1.090
Rmerge	0.073	0.066	0.513
Total number of observations	1797707
Number of reflections	380091
<I/σ(I)>	14.8
Completeness [%]	99.5	97.1	98.1
Redundancy	4.7	7.4	3.5

Crystallization Conditions

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