7EMS
Crystal Structure of the HasAp L85A Mutant Capturing Iron Tetraphenylporphyrin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-10 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.119, 125.104, 66.176 |
| Unit cell angles | 90.00, 99.45, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.850 |
| R-factor | 0.1685 |
| Rwork | 0.167 |
| R-free | 0.20440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ell |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.389 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.160 | 45.160 | 1.890 |
| High resolution limit [Å] | 1.850 | 9.060 | 1.850 |
| Rmerge | 0.098 | 0.032 | 0.783 |
| Rmeas | 0.116 | 0.039 | 0.917 |
| Rpim | 0.061 | 0.022 | 0.474 |
| Total number of observations | 147137 | 1099 | 9473 |
| Number of reflections | 41904 | 363 | 2584 |
| <I/σ(I)> | 10.4 | 32.2 | 1.7 |
| Completeness [%] | 98.7 | 94.2 | 99.2 |
| Redundancy | 3.5 | 3 | 3.7 |
| CC(1/2) | 0.996 | 0.997 | 0.663 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 100mM Tris-HCl (pH 8.5), 20% PEG 8000, 200mM MgCl2 |
