5Z53
Crystal structure of a cyclase Filc from Fischerella sp. in complex with cyclo-L-Arg-D-Pro
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 | 2017-11-29 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 88.815, 252.304, 36.337 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.860 |
| R-factor | 0.18797 |
| Rwork | 0.187 |
| R-free | 0.21420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5yvk |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.537 |
| 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 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Rmerge | 0.103 | 0.055 | 0.691 |
| Rmeas | 0.107 | 0.057 | 0.726 |
| Rpim | 0.030 | 0.016 | 0.219 |
| Total number of observations | 822172 | ||
| Number of reflections | 66079 | 6775 | 6195 |
| <I/σ(I)> | 7.3 | ||
| Completeness [%] | 100.0 | 100 | 99.9 |
| Redundancy | 12.9 | 13.1 | 10.4 |
| CC(1/2) | 0.999 | 0.930 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 0.2M sodium chloride, 20%(w/v) PEG 4000 |
