6GJF
Ancestral endocellulase Cel5A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.436, 235.636, 74.562 |
| Unit cell angles | 90.00, 90.67, 90.00 |
Refinement procedure
| Resolution | 71.080 - 1.450 |
| R-factor | 0.1197 |
| Rwork | 0.118 |
| R-free | 0.15320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pzv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.013 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.080 | 1.502 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.068 | 0.474 |
| Rmeas | 0.081 | 0.566 |
| Rpim | 0.043 | 0.306 |
| Number of reflections | 310126 | 30944 |
| <I/σ(I)> | 9.79 | 2.35 |
| Completeness [%] | 99.4 | 99.29 |
| Redundancy | 3.3 | 3.3 |
| CC(1/2) | 0.997 | 0.787 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.2 M Sodium acetate trihydrate, 0.1 M Tris hydrochloride pH 8.5, 30% w/v PEG 4K |
