4HK7
Crystal structure of Cordyceps militaris IDCase in complex with 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 | 2012-04-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0600 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.333, 144.921, 77.310 |
Unit cell angles | 90.00, 97.14, 90.00 |
Refinement procedure
Resolution | 76.730 - 2.189 |
R-factor | 0.1557 |
Rwork | 0.153 |
R-free | 0.21000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hk5 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.103 |
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] | 76.733 | 50.000 | 2.280 |
High resolution limit [Å] | 2.189 | 4.740 | 2.189 |
Rmerge | 0.085 | 0.041 | 0.481 |
Number of reflections | 86105 | ||
<I/σ(I)> | 10 | ||
Completeness [%] | 99.5 | 99.6 | 96.5 |
Redundancy | 3.4 | 3.3 | 3.3 |
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 |