5NBJ
DLS Tetragonal - ReHEWL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-21 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 79.890, 79.890, 37.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.945 - 1.266 |
| R-factor | 0.1734 |
| Rwork | 0.172 |
| R-free | 0.19660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w1y |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.145 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.950 | 1.290 |
| High resolution limit [Å] | 1.266 | 1.270 |
| Rmerge | 0.077 | 2.066 |
| Rmeas | 1.722 | |
| Rpim | 0.688 | |
| Number of reflections | 32463 | 1660 |
| <I/σ(I)> | 20.9 | 1.7 |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 24 | 20 |
| CC(1/2) | 0.999 | 0.556 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.7 | 298 | 10% NaCl, NaOAc 0.04 M |
