5C6Y
A sperm whale myoglobin double mutant L29H/F43Y Mb with a Tyr-heme cross-link
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-01-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.988 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.062, 48.348, 79.141 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.260 - 1.793 |
| R-factor | 0.15796 |
| Rwork | 0.157 |
| R-free | 0.18083 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qau |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.228 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.793 | 1.793 |
| Rmerge | 0.524 | |
| Number of reflections | 14678 | |
| <I/σ(I)> | 19.8 | 12.9 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 13 | 12.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2 M Sodium acetate trihydrate,0.1 M Sodium cacodylate trihydrate pH 6.5,30% w/v Polyethylene glycol 8000 |
