5NLU
Structure of Nb36 crystal form 1
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 | 2016-05-15 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.560, 29.270, 33.130 |
| Unit cell angles | 90.00, 97.01, 90.00 |
Refinement procedure
| Resolution | 32.882 - 1.193 |
| R-factor | 0.1765 |
| Rwork | 0.175 |
| R-free | 0.19790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.027 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 32.882 | 32.882 | 1.220 |
| High resolution limit [Å] | 1.190 | 5.340 | 1.190 |
| Rmerge | 0.083 | 0.046 | 1.052 |
| Rmeas | 0.091 | 0.050 | 1.194 |
| Number of reflections | 30669 | 389 | 1714 |
| <I/σ(I)> | 10.65 | 28.49 | 1.08 |
| Completeness [%] | 97.7 | 99.7 | 74.1 |
| Redundancy | 6.646 | 6.566 | 4.114 |
| CC(1/2) | 0.998 | 0.998 | 0.395 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 292 | 0.2 M Ammonium Sulfate, 0.1 M Hepes pH 7.5, 25% w/v PEG 3350 |
