5BTO

Crystal structure of Scheffersomyces stipitis Rai1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	52.913, 104.515, 78.705
Unit cell angles	90.00, 98.10, 90.00

Refinement procedure

Resolution	46.622 - 1.641
R-factor	0.1661
Rwork	0.163
R-free	0.21740
RMSD bond length	0.006
RMSD bond angle	0.936
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.700
High resolution limit [Å]	1.640	1.640
Rmerge	0.036	0.238
Number of reflections	100257
<I/σ(I)>	29.7	5.4
Completeness [%]	99.0	96
Redundancy	3.7	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% (w/v) PEG3350, 200mM ammonium chloride