3B3D
B.subtilis YtbE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BSRF BEAMLINE 3W1A |
| Synchrotron site | BSRF |
| Beamline | 3W1A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | Mar |
| Wavelength(s) | 1.2579 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.106, 89.170, 115.687 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.19586 |
| Rwork | 0.192 |
| R-free | 0.26037 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.733 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
| Rmerge | 0.121 | 0.072 | 0.387 |
| Number of reflections | 37940 | ||
| <I/σ(I)> | 5.3 | ||
| Completeness [%] | 97.2 | 99.9 | 100 |
| Redundancy | 9.4 | 9.4 | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 289 | 0.1M Bis-Tris pH 6.3, 50mM calcium chloride, 20% PEGMME550, vapor diffusion, hanging drop, temperature 289K |
