1IWH
Crystal Structure of Horse Carbonmonoxyhemoglobin-Bezafibrate Complex at 1.55A Resolution: A Novel Allosteric Binding Site in R-State Hemoglobin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-01-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 62.396, 107.496, 86.745 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.550 |
| R-factor | 0.174 * |
| R-free | 0.23300 * |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.082 |
| 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] | 20.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.056 | 0.227 |
| Total number of observations | 186283 * | |
| Number of reflections | 40777 | |
| <I/σ(I)> | 7.1 | |
| Completeness [%] | 95.9 | 72.3 |
| Redundancy | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 6.8 | 20 * | PEG1000, pH 6.8, SMALL TUBES, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | hemoglobin solution | 0.25 (%(w/v)) | |
| 2 | 1 | 1 | PEG1000 | 16 (%(w/v)) | |
| 3 | 1 | 1 | BZF | 8 (mM) | |
| 4 | 1 | 1 | sodium dithionite | 0.1 (%(w/v)) | |
| 5 | 1 | 1 | citrate-ammonium | 50 (mM) | pH6.8 |
| 6 | 1 | 1 | glycerol | 20 (%(v/v)) |
