3KX3
Crystal structure of Bacillus megaterium BM3 heme domain mutant L86E
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 | 2009-04-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0698 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.960, 148.250, 64.210 |
| Unit cell angles | 90.00, 98.55, 90.00 |
Refinement procedure
| Resolution | 39.410 - 1.803 |
| R-factor | 0.1468 |
| Rwork | 0.144 |
| R-free | 0.19470 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.095 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.823 |
| High resolution limit [Å] | 1.803 | 1.803 |
| Rmerge | 0.066 | 0.321 |
| Number of reflections | 100096 | |
| <I/σ(I)> | 13 | 4.6 |
| Completeness [%] | 89.1 | 90.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 277 | 100mM cacodylic acid, pH 6.0, 16% PEG 3350, 140mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
