3B9X
Crystal structure of the E. coli pyrimidine nucleoside hydrolase YeiK in complex with inosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-05-13 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 45.112, 82.406, 90.163 |
| Unit cell angles | 67.90, 79.59, 89.65 |
Refinement procedure
| Resolution | 81.920 - 2.300 |
| R-factor | 0.203 |
| Rwork | 0.201 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q8f |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.473 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.450 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.102 | 0.255 |
| Number of reflections | 50148 | |
| <I/σ(I)> | 18.7 | 8.9 |
| Completeness [%] | 95.4 | 92.6 |
| Redundancy | 7.3 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1M Tris-HCl, 0.2M NaCl, 24% PEG 4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
