4CU4
FhuA from E. coli in complex with the lasso peptide microcin J25 (MccJ25)
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 | 2012-09-17 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 95.980, 277.050, 106.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.460 - 2.300 |
| R-factor | 0.2141 |
| Rwork | 0.212 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fcp |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.130 |
| Data reduction software | xia2 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.460 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.050 | 0.590 |
| Number of reflections | 62620 | |
| <I/σ(I)> | 17.4 | 2.3 |
| Completeness [%] | 98.7 | 98.5 |
| Redundancy | 4.5 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 20 MM TRIS PH 7.5, 120 MM LITHIUM SULFATE, 100 MM SODIUM CITRATE PH 5, 20 % PEG300 |
