4L7T
B. fragilis NanU
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-23 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.530, 88.530, 99.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.520 - 1.610 |
| R-factor | 0.19271 |
| Rwork | 0.191 |
| R-free | 0.23199 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.042 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.520 | 1.650 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Rmerge | 0.825 | |
| Number of reflections | 75294 | |
| <I/σ(I)> | 2.6 | |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 6.7 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 290 | 25mM Na phosphate pH7.4, 0.2 M ammonium acetate, 20 % w/v PEG3350 - 14 days, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
