5KKK
1.7-Angstrom In situ Mylar structure of sperm whale myoglobin (SWMb-CO) at 100 K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-03-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 6 |
| Unit cell lengths | 90.770, 90.770, 45.671 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.905 - 1.700 |
| R-factor | 0.1793 |
| Rwork | 0.176 |
| R-free | 0.21490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e55 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.026 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.910 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.172 | 0.732 |
| Number of reflections | 22335 | |
| <I/σ(I)> | 4.35 | 1.24 |
| Completeness [%] | 94.0 | 96 |
| Redundancy | 1.9 | 1.9 |
| CC(1/2) | 0.940 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 9 | 293 | 10 mM Tris-HCl, 2.5 to 2.6 M (NH4)2SO4, 1 atm CO gas, seed solution in 10 mM Tris-HCl pH 9.0 and 3.2 M (NH4)2SO4 |
