4NS2
Crystal structure of Horse heart ferric myoglobin; D44K/D60K/E85K mutant
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 |
| Collection date | 2013-10-11 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.078 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.820, 30.360, 56.990 |
| Unit cell angles | 90.00, 97.36, 90.00 |
Refinement procedure
| Resolution | 28.260 - 1.180 |
| R-factor | 0.1709 |
| Rwork | 0.170 |
| R-free | 0.19420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ymb |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.087 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.360 | 30.360 | 1.210 |
| High resolution limit [Å] | 1.180 | 5.280 | 1.180 |
| Rmerge | 0.085 | 0.063 | 0.702 |
| Number of reflections | 47934 | ||
| <I/σ(I)> | 14.2 | 42.2 | 2 |
| Completeness [%] | 99.5 | 99.4 | 98.1 |
| Redundancy | 4 | 6.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 3.3 M ammonium sulfate, 0.1 M Tris pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
