4NK2
Crystal structure of Hell's gate globin IV
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 | 2012-04-27 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.217, 83.427, 94.024 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.114 - 1.960 |
| R-factor | 0.2116 |
| Rwork | 0.210 |
| R-free | 0.25040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nk1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.051 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.710 | 2.030 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.042 | 0.371 |
| Number of reflections | 38333 | |
| <I/σ(I)> | 10.3 | 2 |
| Completeness [%] | 97.8 | 95.9 |
| Redundancy | 2.44 | 2.32 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293 | 20% (v/v) 2-methyl-2,4-pentanediol in 0.05 M citric acid pH 4.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
