6B2W
C. Jejuni C315S Agmatine Deiminase with Substrate Bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-12-17 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.528, 80.884, 85.626 |
| Unit cell angles | 90.00, 95.26, 90.00 |
Refinement procedure
| Resolution | 47.830 - 2.500 |
| R-factor | 0.2004 |
| Rwork | 0.198 |
| R-free | 0.26480 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6b10 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.935 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.23) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 85.270 | 85.270 | 2.600 |
| High resolution limit [Å] | 2.500 | 9.010 | 2.500 |
| Rmerge | 0.169 | 0.034 | 0.870 |
| Rmeas | 0.198 | 0.040 | 1.053 |
| Rpim | 0.103 | 0.021 | 0.587 |
| Total number of observations | 93595 | ||
| Number of reflections | 25689 | 579 | 2870 |
| <I/σ(I)> | 11.1 | ||
| Completeness [%] | 99.7 | 99.3 | 99.7 |
| Redundancy | 3.6 | 3.6 | 3 |
| CC(1/2) | 0.982 | 0.999 | 0.452 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.2 M potassium chloride 20% PEG 3350 pH 7.0 |
