5HEI
Structure of B. megaterium NfrA2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97942 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.440, 158.190, 103.860 |
| Unit cell angles | 90.00, 102.21, 90.00 |
Refinement procedure
| Resolution | 28.630 - 2.840 |
| R-factor | 0.2049 |
| Rwork | 0.203 |
| R-free | 0.24720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zch |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.050 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.010 |
| High resolution limit [Å] | 2.840 | 2.840 |
| Number of reflections | 44446 | |
| <I/σ(I)> | 4.88 | 1.21 |
| Completeness [%] | 97.3 | 92.6 |
| Redundancy | 2.9 | 2.84 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | Ammonium Sulfate, Mes pH6.5, MPD |
