1HE4
Human biliverdin IX beta reductase: NADP/FMN 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, 49.300, 106.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.400 |
R-factor | 0.134 |
R-free | 0.18000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hdo |
RMSD bond length | 0.008 |
RMSD bond angle | 0.023 |
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 | 1.480 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.054 | 0.182 |
Total number of observations | 255020 * | |
Number of reflections | 42072 | |
<I/σ(I)> | 7.7 | |
Completeness [%] | 98.9 | 95 |
Redundancy | 6.1 |
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) |