5I5G

Crystal Structure of Transketolase mutant-R525L from Pichia Stipitis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-10
Detector	RAYONIX MX300HE
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	101.121, 184.543, 98.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.560 - 1.950
R-factor	0.1618
Rwork	0.161
R-free	0.18620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gpu
RMSD bond length	0.008
RMSD bond angle	0.902
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	1.980
High resolution limit [Å]	1.950	5.280	1.950
Rmerge	0.155	0.049	0.946
Number of reflections	67032
<I/σ(I)>	5.9
Completeness [%]	100.0	99.9	100
Redundancy	8.3	7.9	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	MES, NaCl, PEG400