3KX5
Crystal structure of Bacillus megaterium BM3 heme domain mutant F261E
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0698 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.720, 153.800, 60.130 |
| Unit cell angles | 90.00, 94.46, 90.00 |
Refinement procedure
| Resolution | 31.873 - 1.686 |
| R-factor | 0.1754 |
| Rwork | 0.174 |
| R-free | 0.20770 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.058 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.000 | 1.705 |
| High resolution limit [Å] | 1.686 | 1.686 |
| Rmerge | 0.074 | 0.403 |
| Number of reflections | 117663 | |
| <I/σ(I)> | 12.1 | 2.6 |
| Completeness [%] | 96.9 | 88 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 277 | 100mM cacodylic acid, pH 6.0, 13% PEG 3350, 140mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
