6F19
Structure of Mb NMH H64V, V68A mutant complex with EDA incubated at room temperature for 5 min
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.810, 47.770, 77.390 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.650 - 1.895 |
| R-factor | 0.1841 |
| Rwork | 0.178 |
| R-free | 0.23290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a6k |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.337 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.010 |
| High resolution limit [Å] | 1.895 | 1.895 |
| Rmerge | 0.067 | 0.330 |
| Number of reflections | 11935 | |
| <I/σ(I)> | 15.6 | 4.5 |
| Completeness [%] | 97.6 | 93.3 |
| Redundancy | 7.4 | 6.6 |
| CC(1/2) | 0.998 | 0.934 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M SPG buffer at pH 6.8-7.2 containing 28-32%(w/v) PEG1500. |
