5K9H
Crystal structure of a glycoside hydrolase 29 family member from an unknown rumen bacterium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-18 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.671, 78.308, 134.529 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.990 - 2.029 |
| R-factor | 0.1931 |
| Rwork | 0.191 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3eyp |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.225 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.1.29) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.130 | 47.130 | 2.080 |
| High resolution limit [Å] | 2.029 | 9.070 | 2.029 |
| Rmerge | 0.206 | 0.042 | 0.940 |
| Rmeas | 0.222 | 0.046 | 1.017 |
| Rpim | 0.082 | 0.019 | 0.383 |
| Total number of observations | 332797 | 3556 | 23152 |
| Number of reflections | 45691 | ||
| <I/σ(I)> | 7.9 | 27.4 | 2.1 |
| Completeness [%] | 99.9 | 99.2 | 98.9 |
| Redundancy | 7.3 | 5.9 | 7 |
| CC(1/2) | 0.992 | 0.999 | 0.801 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 2.0 M sodium thiocyanate, 35% Jeffamine pH 7.0, 0.1 M HEPES pH 7.5 |
