2RAU

Crystal structure of a putative lipase (NP_343859.1) from Sulfolobus solfataricus at 1.85 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-19
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97937, 0.97916
Spacegroup name	P 31 2 1
Unit cell lengths	83.333, 83.333, 140.032
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.548 - 1.850
R-factor	0.16
Rwork	0.158
R-free	0.18800
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.686
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.548	28.548	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.105	0.039	0.896
Total number of observations		3919	25952
Number of reflections	48739
<I/σ(I)>	14	15.1	2.3
Completeness [%]	100.0	97.6	100
Redundancy	7.3	6.3	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	NANODROP, 0.2M CaCl2, 28.0% PEG 400, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K