9C16
Human biliverdin IX beta reductase in complex with NADP and BCT002029
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-04-02 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9201 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.091, 42.264, 66.148 |
| Unit cell angles | 90.00, 108.04, 90.00 |
Refinement procedure
| Resolution | 31.450 - 1.580 |
| R-factor | 0.2073 |
| Rwork | 0.206 |
| R-free | 0.22610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.140 |
| Data reduction software | autoPROC |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.450 | 1.610 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.121 | 1.393 |
| Rmeas | 0.146 | 1.722 |
| Rpim | 0.080 | 0.991 |
| Number of reflections | 25464 | 1287 |
| <I/σ(I)> | 5.7 | 0.8 |
| Completeness [%] | 92.9 | 92.9 |
| Redundancy | 3.1 | 2.7 |
| CC(1/2) | 0.994 | 0.329 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.1 M MES pH 6.5, 12% (w/v) PEG20000, 25% (v/v) MPD, 1 mM NADP+ |
