4ZZ4
Neutron crystal structure of ribonuclease A determined by the real space D/H contrast method
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | NUCLEAR REACTOR |
Source details | JRR-3M BEAMLINE 1G-A |
Synchrotron site | JRR-3M |
Beamline | 1G-A |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 2009-03-04 |
Detector | MACSCIENCE |
Wavelength(s) | 2.9 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 30.340, 38.369, 53.188 |
Unit cell angles | 90.00, 105.75, 90.00 |
Refinement procedure
Resolution | 51.190 - 1.798 |
R-factor | 0.1991 |
Rwork | 0.197 |
R-free | 0.22050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kf5 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.980 |
Data reduction software | DENZO |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 1.860 |
High resolution limit [Å] | 1.798 | 3.881 | 1.798 |
Rmerge | 0.114 | 0.056 | 0.344 |
Total number of observations | 14629 | ||
Number of reflections | 7960 | ||
<I/σ(I)> | 7.3 | ||
Completeness [%] | 72.1 | 96.5 | 51.3 |
Redundancy | 1.8 | 2.3 | 1.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 293 | a H2O-solvent crystal was sealed in a capillary with D2O-buffer containing 20 mg/mL ribonuclease A, 0.05 M sodium acetate, and 50% 2-d8-propanol (pD 5.8) to exchange hydrogen atoms in the crystal with deuterium atoms. |