4H65

Crystal structure of SeMet derivative of HMP synthase Thi5 from S. cerevisiae

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-01-26
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.97795
Spacegroup name	P 21 21 21
Unit cell lengths	54.440, 109.210, 122.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.998 - 2.600
R-factor	0.2141
Rwork	0.211
R-free	0.25420
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.312
Data reduction software	XDS
Data scaling software	XDS
Phasing software	CCP4
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.620
High resolution limit [Å]	2.550	2.550
Rmerge	0.110	1.293
Number of reflections	24539
<I/σ(I)>	25.14	2.85
Completeness [%]	100.0	100
Redundancy	19.37	19.39

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.7	291.15	0.2 M potassium thiocyanate, 0.1 M Bis-Tris, pH 5.7, 27% PEG3350, 10% dodecyl-beta-D-maltoside, VAPOR DIFFUSION, SITTING DROP, temperature 291.15K