3KX4
Crystal structure of Bacillus megaterium BM3 heme domain mutant I401E
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 | 58.540, 152.830, 59.710 |
| Unit cell angles | 90.00, 94.64, 90.00 |
Refinement procedure
| Resolution | 29.757 - 1.950 |
| R-factor | 0.1649 |
| Rwork | 0.163 |
| R-free | 0.21010 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.998 |
| 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] | 30.000 | 1.970 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.117 | 0.319 |
| Number of reflections | 74558 | |
| <I/σ(I)> | 10.3 | 4.08 |
| Completeness [%] | 98.2 | 93.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 277 | 100mM cacodylic acid, pH 6.0, containing 18% PEG 3350, 140mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
