5D84
Staphyloferrin B precursor biosynthetic enzyme SbnA bound to PLP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-12-15 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.97952 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 56.080, 115.828, 45.138 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.450 |
| R-factor | 0.1265 |
| Rwork | 0.124 |
| R-free | 0.17530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.515 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX (2.2.4) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.500 |
| High resolution limit [Å] | 1.450 | 3.120 | 1.450 |
| Rmerge | 0.055 | 0.028 | 0.413 |
| Total number of observations | 302661 | ||
| Number of reflections | 51631 | ||
| <I/σ(I)> | 13 | ||
| Completeness [%] | 97.3 | 97.5 | 94.7 |
| Redundancy | 5.9 | 6 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1 M Tris, pH 8.5, 0.2 M MgCl2, 20-25% PEG 3350 |
