5BXP
LNBase in complex with LNB-LOGNAc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-05-25 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 116.759, 131.617, 104.606 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.940 - 1.700 |
| R-factor | 0.176 |
| Rwork | 0.175 |
| R-free | 0.20600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4h04 |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.204 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.083 | 0.513 |
| Number of reflections | 175974 | |
| <I/σ(I)> | 29.4 | 3.48 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.4 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.2M potassium sodium tartate tetrahydrate, 0.1M sodium citrate, 2.0M ammonium sulfate, pH 5.6 |
