7R1K
Phosphorylated Bacillus pumilus Lipase A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2020-11-09 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 57.396, 42.843, 62.660 |
| Unit cell angles | 90.00, 91.28, 90.00 |
Refinement procedure
| Resolution | 20.930 - 1.500 |
| R-factor | 0.1419 |
| Rwork | 0.141 |
| R-free | 0.16520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1isp |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.873 |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.20rc4_4425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.930 | 1.554 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.123 | 1.492 |
| Rpim | 0.050 | 0.847 |
| Number of reflections | 47178 | 4727 |
| <I/σ(I)> | 9.42 | 1.05 |
| Completeness [%] | 98.7 | 98.51 |
| Redundancy | 6.3 | 3.9 |
| CC(1/2) | 0.997 | 0.399 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1 M MES pH 6.5 18-22 % PEG 4000 0.1-0.5 M lithium citrate 1:100 diluted paraoxon-ethyl mixed with enzyme |
