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 |