3UFD
C.Esp1396I bound to its highest affinity operator site OM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9395 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.490, 147.100, 47.780 |
| Unit cell angles | 90.00, 93.68, 90.00 |
Refinement procedure
| Resolution | 45.360 - 2.800 |
| R-factor | 0.2072 |
| Rwork | 0.206 |
| R-free | 0.23670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.520 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 73.550 | 45.358 | 2.850 |
| High resolution limit [Å] | 2.700 | 8.540 | 2.700 |
| Rmerge | 0.043 | 0.201 | |
| Total number of observations | 1759 | 9157 | |
| Number of reflections | 17783 | ||
| <I/σ(I)> | 12.1 | 10.4 | 3.8 |
| Completeness [%] | 98.9 | 89.9 | 99.7 |
| Redundancy | 3.4 | 3.3 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289 | 0.1 M SPG buffer, 25% w/v PEG 1500, 10 uM Spermidine, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
