9D1M
Lucilia cuprina alpha esterase 7 directed evolution round 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.299, 92.306, 105.634 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.840 - 1.300 |
| R-factor | 0.1616 |
| Rwork | 0.160 |
| R-free | 0.19480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.906 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.150 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.157 | 3.048 |
| Rmeas | 0.164 | 3.168 |
| Rpim | 0.045 | 0.858 |
| Total number of observations | 1829559 | 88299 |
| Number of reflections | 138352 | 6624 |
| <I/σ(I)> | 8.7 | 0.9 |
| Completeness [%] | 98.7 | |
| Redundancy | 13.2 | 13.3 |
| CC(1/2) | 0.998 | 0.428 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 8-13% (w/v) polyethylene glycol (PEG) 3350, 200 mM BisTris pH 6.5, 6% methyl-2,4-pentanediol (MPD) |
