6OPL
Human biliverdin IX beta reductase Q14R mutant: NADP complex
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2018-08-24 |
| Detector | RDI CMOS_8M |
| Wavelength(s) | 1.000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 42.163, 98.145, 125.853 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.697 - 1.370 |
| R-factor | 0.233 |
| Rwork | 0.232 |
| R-free | 0.26170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hdo |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.525 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3228: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.980 | 1.390 |
| High resolution limit [Å] | 1.370 | 1.370 |
| Rmerge | 0.068 | 2.133 |
| Number of reflections | 55280 | 2685 |
| <I/σ(I)> | 15.6 | |
| Completeness [%] | 99.9 | 99.3 |
| Redundancy | 6.6 | 4 |
| CC(1/2) | 0.999 | 0.317 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | mother liquor: 0.1 M MES monohydrate, 12% w/v PEG20000, 1 M sodium chloride |
