3MKN
Crystal structure of the E. coli pyrimidine nucleosidase YeiK bound to a competitive inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-20 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.851, 86.446, 97.817 |
| Unit cell angles | 90.00, 98.86, 90.00 |
Refinement procedure
| Resolution | 44.970 - 2.000 |
| R-factor | 0.17523 |
| Rwork | 0.174 |
| R-free | 0.19587 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q8f |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.422 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 91924 | |
| <I/σ(I)> | 10.9 | 2.9 |
| Completeness [%] | 97.6 | 94.4 |
| Redundancy | 3.5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 100mM Bis-Tris pH 6.5, 45% PPG 500, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
