5I5E

Crystal Structure of Transketolase mutants-H66/261C complex with xylulose-5-phoaphate from Pichia Stipitis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-03
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	99.885, 182.084, 98.263
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.839 - 1.620
R-factor	0.1592
Rwork	0.158
R-free	0.18150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gpu
RMSD bond length	0.012
RMSD bond angle	1.204
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	1.680
High resolution limit [Å]	1.620	3.490	1.620
Rmerge	0.104	0.081	0.720
Total number of observations	559503
Number of reflections	113628
<I/σ(I)>	9.9
Completeness [%]	99.8	99.3	100
Redundancy	4.9	5.6	4.4

Crystallization Conditions

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