6SD8
Bd2924 apo-form
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 | 2017-07-28 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97622 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.750, 113.012, 89.044 |
| Unit cell angles | 90.00, 120.84, 90.00 |
Refinement procedure
| Resolution | 76.454 - 1.510 |
| R-factor | 0.1749 |
| Rwork | 0.174 |
| R-free | 0.19290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.141 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 81.710 | 81.710 | 1.550 |
| High resolution limit [Å] | 1.510 | 6.750 | 1.510 |
| Rmerge | 0.051 | 0.042 | 1.262 |
| Rmeas | 0.055 | 0.046 | 1.376 |
| Rpim | 0.021 | 0.018 | 0.541 |
| Total number of observations | 1198412 | 14171 | 81267 |
| Number of reflections | 177144 | 2112 | 12789 |
| <I/σ(I)> | 11.9 | 38.7 | 1.2 |
| Completeness [%] | 97.0 | 99.8 | 94.9 |
| Redundancy | 6.8 | 6.7 | 6.4 |
| CC(1/2) | 0.998 | 0.995 | 0.821 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 40% pentaerythritol propoxylate 15% ethanol |
