4NK1
Crystal structure of phosphate-bound 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 | 2012-03-16 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.258, 84.485, 92.991 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.958 - 2.210 |
R-factor | 0.2141 |
Rwork | 0.213 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ux8 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.063 |
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] | 29.960 | 2.290 |
High resolution limit [Å] | 2.210 | 2.210 |
Rmerge | 0.067 | 0.388 |
Number of reflections | 27422 | |
<I/σ(I)> | 7.6 | 2 |
Completeness [%] | 99.5 | 99.9 |
Redundancy | 2.9 | 2.86 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 50% (v/v) 2-methyl-2,4-pentanediol, 0.2 M ammonium monophosphate basic in 0.2 M Tris-HCl pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |