4XYX
NanB plus Optactamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-12-12 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.603, 82.648, 116.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.1885 |
| Rwork | 0.186 |
| R-free | 0.23310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vw2 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.371 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
| Rmerge | 0.071 | 0.056 | 0.221 |
| Total number of observations | 234475 | ||
| Number of reflections | 42642 | ||
| <I/σ(I)> | 18.4 | ||
| Completeness [%] | 98.6 | 97.5 | 92.6 |
| Redundancy | 5.5 | 5.5 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 100mM Imidazole pH8, 5% PEG8000 |
