6G7N
Trichodesmium Tery_3377 (IdiA) (FutA) with iron and alanine ligand.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979490 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.220, 83.190, 65.160 |
| Unit cell angles | 90.00, 95.25, 90.00 |
Refinement procedure
| Resolution | 83.190 - 1.100 |
| R-factor | 0.1346 |
| Rwork | 0.134 |
| R-free | 0.15120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.568 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 83.190 | 83.190 | 1.130 |
| High resolution limit [Å] | 1.100 | 4.920 | 1.100 |
| Rmerge | 0.047 | 0.040 | 0.352 |
| Rmeas | 0.056 | 0.048 | 0.428 |
| Total number of observations | 769551 | ||
| Number of reflections | 239749 | 2767 | 17697 |
| <I/σ(I)> | 11.73 | 27.28 | 3 |
| Completeness [%] | 99.4 | 98.6 | 99.5 |
| Redundancy | 3.21 | 3.572 | 3.03 |
| CC(1/2) | 0.998 | 0.996 | 0.775 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | L-Na-Glutamate, Alanine (racemic), Glycine, Lysine HCl (racemic), Serine (racemic), Sodium HEPES, MOPS (acid), PEG500MME, PEG20000. |
