5ZFJ
Crystal structure of a cyclase Filc from Fischerella sp. in complex with 4-(1H-Indol-3-yl)butan-2-one
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-03-04 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 88.203, 255.055, 36.183 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.660 - 1.860 |
| R-factor | 0.17102 |
| Rwork | 0.169 |
| R-free | 0.20050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5yvk |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.508 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 1.950 |
| High resolution limit [Å] | 1.860 | 4.050 | 1.860 |
| Rmerge | 0.079 | 0.032 | 0.479 |
| Rmeas | 0.085 | 0.035 | 0.525 |
| Rpim | 0.031 | 0.013 | 0.208 |
| Total number of observations | 513137 | ||
| Number of reflections | 69836 | 7176 | 6605 |
| <I/σ(I)> | 6.8 | ||
| Completeness [%] | 99.7 | 99.1 | 99.2 |
| Redundancy | 7.6 | 7.4 | 6.3 |
| CC(1/2) | 0.999 | 0.876 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 1.0M sodium citrate, 0.1M Imidazole pH 8.0 |
