9JN6
Crystal structure of KtzT-C197A in complex with HEME and product
This is a non-PDB format compatible entry.
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 | PIXEL |
| Collection date | 2023-12-26 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.99987 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 90.878, 101.613, 111.155 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.240 - 1.720 |
| R-factor | 0.18766 |
| Rwork | 0.187 |
| R-free | 0.22196 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.823 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.240 | 1.820 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Number of reflections | 109356 | 17022 |
| <I/σ(I)> | 13.95 | 2.59 |
| Completeness [%] | 97.6 | 96.6 |
| Redundancy | 7.5 | 5.2 |
| CC(1/2) | 0.999 | 0.950 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 298 | 0.1 M ammonium acetate, 0.1 M Tris pH 8.0, 1.0 M sodium citrate |
