4WWM

X-ray crystal structure of Sulfolobus solfataricus Urm1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-29
Detector	Bruker Platinum 135
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	31.494, 65.192, 109.358
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.000 - 2.200
R-factor	0.1949
Rwork	0.193
R-free	0.22780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.661
Data reduction software	PROTEUM PLUS
Data scaling software	PROTEUM PLUS
Phasing software	BALBES
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.064	0.305
Number of reflections	12034
<I/σ(I)>	27.26	6.05
Completeness [%]	99.8	99.3
Redundancy	12.71	8.55

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	292	30% PEG 4000, 0.2 M ammonium sulphate