9D1Q
Lucilia cuprina alpha esterase 7 directed evolution round 6
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 | 2017-08-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.104, 92.236, 105.774 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.880 - 1.350 |
| R-factor | 0.1729 |
| Rwork | 0.172 |
| R-free | 0.19730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.944 |
| 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] | 45.880 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.115 | 2.707 |
| Rmeas | 0.120 | 2.825 |
| Rpim | 0.034 | 0.800 |
| Total number of observations | 1557959 | 76495 |
| Number of reflections | 125243 | 6108 |
| <I/σ(I)> | 11.1 | 1.1 |
| Completeness [%] | 100.0 | |
| Redundancy | 12.4 | 12.5 |
| CC(1/2) | 0.998 | 0.490 |
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) |
