5XKV
structure of sperm whale myoglobin F138W
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2016-12-31 |
| Detector | RIGAKU |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.766, 48.441, 78.898 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.540 - 1.400 |
| R-factor | 0.16326 |
| Rwork | 0.162 |
| R-free | 0.19016 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hlu |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.326 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 30559 | 1312 |
| <I/σ(I)> | 23.9 | |
| Completeness [%] | 98.9 | 85 |
| Redundancy | 5.3 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M Sodium acetate trihydrate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 30% w/v Polyethylene glycol 8000 |
