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 |