1HE5
Human biliverdin IX beta reductase: NADP/Lumichrome ternary complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Collection date | 2000-05-15 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.100, 49.200, 106.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.500 |
| R-factor | 0.143 |
| R-free | 0.19200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hdo |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.022 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.700 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.092 | 0.149 |
| Total number of observations | 158687 * | |
| Number of reflections | 34757 | |
| <I/σ(I)> | 3.7 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 6.5 | 30% PEG 3350, 0.2 M AMMONIUM SULFATE, 0.1 M SODIUM CACODYLATE PH 6.5. NADP ADDED TO A FINAL CONCENTRATION OF 2.5 MM |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 6.7 (mg/ml) | |
| 2 | 1 | drop | NADP | 2.5 (mM) | |
| 3 | 1 | drop | PEG8000 | 5 (%(w/v)) | |
| 4 | 1 | drop | ammonium sulfate | 0.03 (M) | |
| 5 | 1 | drop | sodium cacodylate | 0.02 (M) |
