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 |