4OF9
Structure of K42N variant of sperm whale myoglobin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 6 |
| Unit cell lengths | 90.304, 90.304, 45.314 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.760 - 1.241 |
| R-factor | 0.11969 |
| Rwork | 0.119 |
| R-free | 0.14123 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3OCK |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.770 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.760 | 1.273 |
| High resolution limit [Å] | 1.241 | 1.241 |
| Rmerge | 0.058 | 0.209 |
| Number of reflections | 58965 | |
| <I/σ(I)> | 36.1 | |
| Completeness [%] | 98.6 | 90.4 |
| Redundancy | 5.8 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 277 | 2.7 M ammonium sulfate, 20 mM Tris, 1 mM EDTA, pH 8.5, VAPOR DIFFUSION, temperature 277K |
