9H1M
Recombinant ferric horseradish peroxidase C1A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-13 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.157, 67.061, 117.178 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.200 - 1.630 |
| R-factor | 0.1709 |
| Rwork | 0.170 |
| R-free | 0.18930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.876 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.200 | 1.660 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.115 | |
| Number of reflections | 37103 | 1850 |
| <I/σ(I)> | 5.4 | |
| Completeness [%] | 92.0 | 93.6 |
| Redundancy | 3.9 | 2.1 |
| CC(1/2) | 0.991 | 0.343 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277.15 | 25% (w/v) PEG 1500, 100 mM SPG (2:7:7, succinic acid:sodium hydrogen phosphate:glycine buffer pH 8.5 |
