6YRE

Transaldolase variant T30C/D211C from T. acidophilum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.85
Spacegroup name	C 2 2 21
Unit cell lengths	147.790, 171.440, 100.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.892 - 1.960
R-factor	0.1842
Rwork	0.183
R-free	0.21430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s0c
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.892	50.000	2.060
High resolution limit [Å]	1.960	20.000	1.960
Rmerge	0.117	0.046	2.400
Rmeas	0.125	0.052	2.551
Total number of observations	738420
Number of reflections	91427	101	12565
<I/σ(I)>	9.73	26.98	1.03
Completeness [%]	100.0	98.1	100
Redundancy	8.077	4.188	8.501
CC(1/2)	0.999	0.999	0.546

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	188 mM ammonium acetate (pH 4.4), 10% (w/v) PEG 6000, and 25% (v/v) glycerol