3QQR
Crystal structure of Parasponia hemoglobin; Differential Heme Coordination is Linked to Quaternary Structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-03-14 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.040, 72.040, 88.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.190 - 2.160 |
| R-factor | 0.22752 |
| Rwork | 0.224 |
| R-free | 0.28564 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qqq |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.468 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.190 | 2.215 |
| High resolution limit [Å] | 2.160 | 2.160 |
| Rmerge | 0.043 | 0.307 |
| Number of reflections | 18471 | |
| <I/σ(I)> | 20.6 | 1.28 |
| Completeness [%] | 99.0 | 92 |
| Redundancy | 5.94 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 1.6M Ammonium sulfate, 10% Dioxane, 0.1M MES, 0.1 M phenol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
