6A99
Crystal structure of a Stig cyclases Fisc from Fischerella sp. TAU in complex with (3Z)-3-(1-methyl-2-pyrrolidinylidene)-3H-indole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-05-19 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.454, 82.398, 136.575 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.940 - 2.290 |
| R-factor | 0.19005 |
| Rwork | 0.187 |
| R-free | 0.24150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5yvk |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.467 |
| 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 | 2.400 |
| High resolution limit [Å] | 2.290 | 4.990 | 2.320 |
| Rmerge | 0.065 | 0.049 | 0.422 |
| Rmeas | 0.074 | 0.057 | 0.487 |
| Rpim | 0.035 | 0.027 | 0.241 |
| Total number of observations | 147545 | ||
| Number of reflections | 36512 | 3683 | 3354 |
| <I/σ(I)> | 12.5 | ||
| Completeness [%] | 99.8 | 99.6 | 98.3 |
| Redundancy | 4.3 | 4 | 3.9 |
| CC(1/2) | 0.993 | 0.859 |
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 |
