4HK6
Crystal structure of Cordyceps militaris IDCase in complex with 5-nitro-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 | 2012-05-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.259, 145.284, 77.506 |
| Unit cell angles | 90.00, 95.84, 90.00 |
Refinement procedure
| Resolution | 77.100 - 2.300 |
| R-factor | 0.1556 |
| Rwork | 0.153 |
| R-free | 0.20240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hk5 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.099 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 77.104 | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
| Rmerge | 0.123 | 0.048 | 0.481 |
| Number of reflections | 75264 | ||
| <I/σ(I)> | 8.3 | ||
| Completeness [%] | 99.7 | 99.8 | 97.6 |
| Redundancy | 3.6 | 3.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 25% PEG3350, 0.2 M magnesium chloride, 0.1 M Tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
