26RW
Crystal structure of the C65A/M94W/M145W/C167A mutant of Human lipocalin-type Prostaglandin D Synthase in complex with 10-O-(3-fluoropropyl)-substituted SN-38
This is a non-PDB format compatible entry.
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 | 2019-10-22 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.011, 56.407, 71.416 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.150 - 1.240 |
| R-factor | 0.2188 |
| Rwork | 0.217 |
| R-free | 0.24980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4orr |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.260 |
| Data reduction software | XDS (Mar 15, 2019) |
| Data scaling software | XDS (Mar 15, 2019) |
| Phasing software | MOLREP (7.0.078) |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.310 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Rmerge | 0.021 | 0.660 |
| Number of reflections | 42068 | 6663 |
| <I/σ(I)> | 50.5 | 3.4 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 12.8 | 12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M NaSCN, 30% PEG3350 |
