4LAL
Crystal structure of Cordyceps militaris IDCase D323A mutant in complex with 5-carboxyl-uracil
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-10 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 192.266, 54.301, 143.776 |
| Unit cell angles | 90.00, 121.04, 90.00 |
Refinement procedure
| Resolution | 47.960 - 2.100 |
| R-factor | 0.1772 |
| Rwork | 0.175 |
| R-free | 0.22020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hk5 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.017 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
| Rmerge | 0.077 | 0.043 | 0.267 |
| Number of reflections | 74453 | ||
| <I/σ(I)> | 10.1 | ||
| Completeness [%] | 99.7 | 99.5 | 99.5 |
| Redundancy | 3.6 | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | sitting drop | 8.5 | 289 | 25% polyethylene glycol 3350, 0.2M MgCl2, 0.1M Tris-HCl, pH 8.5, sitting drop, temperature 289K |
