3UTS
1E6-A*0201-ALWGPDPAAA Complex, Monoclinic
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-02-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9778 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 93.680, 84.590, 126.280 |
| Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
| Resolution | 63.140 - 2.712 |
| R-factor | 0.2046 |
| Rwork | 0.201 |
| R-free | 0.26910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.244 |
| Data reduction software | xia2 |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 63.140 | 63.140 | 2.780 |
| High resolution limit [Å] | 2.712 | 12.130 | 2.712 |
| Rmerge | 0.031 | 0.706 | |
| Total number of observations | 2307 | 16310 | |
| Number of reflections | 53477 | ||
| <I/σ(I)> | 11.1 | 19.8 | 1 |
| Completeness [%] | 99.4 | 96.1 | 99.4 |
| Redundancy | 4.1 | 3.7 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 291 | 20% w/v PEG3350, 0.2 M sodium citrate, 0.1 M Bis-tris propane, pH 6.5, VAPOR DIFFUSION, temperature 291K |
