1JI3
CRYSTAL STRUCTURE OF THE FIRST THERMOSTABLE BACTERIAL LIPASE FROM BACILLUS STEAROTHERMOPHILUS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX14.1 |
Synchrotron site | SRS |
Beamline | PX14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-02-04 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.480 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 118.500, 81.237, 99.782 |
Unit cell angles | 90.00, 96.33, 90.00 |
Refinement procedure
Resolution | 40.000 * - 2.200 |
R-factor | 0.1689 |
Rwork | 0.166 |
R-free | 0.21700 * |
Structure solution method | MIR |
RMSD bond length | 0.218 * |
RMSD bond angle | 1.256 * |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.000 | 2.240 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.106 | 0.298 |
Total number of observations | 211130 * | |
Number of reflections | 47208 | |
<I/σ(I)> | 11.15 | 4.16 |
Completeness [%] | 99.2 | 91.9 |
Redundancy | 4.51 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 * | 290 | Sinchaikul, S., (2002) Acta Crystallogr., D58, 182. * |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 * | 290 | Sinchaikul, S., (2002) Acta Crystallogr., D58, 182. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | ammonium sulfate | 20 (%sat) | |
2 | 1 | reservoir | HEPES | 0.1 (M) | pH6.8-7.0 |
3 | 1 | drop | protein | 15 (mg/ml) | |
4 | 1 | drop | Tris-HCl | 20 (mM) | pH8.5 |