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 |
