3NU1
Structure of holo form of a periplasmic heme binding protein
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Detector technology | PIXEL |
| Collection date | 2009-05-12 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9788, 0.9184, 0.9796, 0.9794 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 89.240, 89.240, 288.900 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.645 - 2.500 |
| R-factor | 0.1983 |
| Rwork | 0.196 |
| R-free | 0.23820 |
| Structure solution method | MAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.998 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CNS |
| Refinement software | PHENIX (1.6.1_357) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.360 | |
| High resolution limit [Å] | 2.300 | 10.280 | 2.300 |
| Rmerge | 0.060 | 0.036 | 1.548 |
| Rmeas | 0.037 | 1.567 | |
| Number of reflections | 31308 | 421 | 2203 |
| <I/σ(I)> | 38.49 | 90.2 | 3.1 |
| Completeness [%] | 99.7 | 94.2 | 96.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 283 | 13% (w/v) PEG 4000, 200mM Mg-acetate, 100mM Na-cacodylate, pH 6.5, vapor diffusion, sitting drop, temperature 283K |
