5HLX
X-ray crystal structure of met F43H/H64A sperm whale myoglobin in complex with nitrite
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2016-01-08 |
| Detector | RIGAKU |
| Wavelength(s) | 0.988 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.701, 49.545, 77.588 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.370 - 1.500 |
| R-factor | 0.14921 |
| Rwork | 0.148 |
| R-free | 0.17332 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4of9 |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.365 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.099 | |
| Number of reflections | 25250 | |
| <I/σ(I)> | 20.08 | 20.1 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 6.4 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 30%(w/v) Polyethylene glycol 8,000, 0.2M Sodium acetate trihydrate, 0.1M Sodium cacodylate trihydrate pH 6.5 |
