3WFX
Crystal Structure of the Imidazole-Bound Form of the HGbRL's Globin Domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-10-19 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 98.580, 44.330, 81.880 |
| Unit cell angles | 90.00, 119.68, 90.00 |
Refinement procedure
| Resolution | 27.232 - 1.940 |
| R-factor | 0.1857 |
| Rwork | 0.183 |
| R-free | 0.23390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s1i |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.027 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.8.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.990 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.044 | 0.307 |
| Number of reflections | 21708 | |
| <I/σ(I)> | 13.89 | 2.99 |
| Completeness [%] | 94.3 | 99.4 |
| Redundancy | 2.7 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 3.5M 1,6-hexanediol, 0.1M sodium citrate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
