4KWN
A new stabilizing water structure at the substrate binding site in ribosome inactivating protein from Momordica balsamina at 1.80 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2013-05-01 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97 |
Spacegroup name | H 3 |
Unit cell lengths | 130.212, 130.212, 39.847 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.600 - 1.800 |
R-factor | 0.18017 |
Rwork | 0.178 |
R-free | 0.21389 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3s9q |
RMSD bond length | 0.005 |
RMSD bond angle | 1.067 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 22146 | |
<I/σ(I)> | 32.3 | 2.3 |
Completeness [%] | 99.9 | 99.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 298 | 14% PEG 6000, 0.1M Sodium Phosphate , pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |