5EP8
X-Ray Structure of the Complex Pyrimidine-nucleoside phosphorylase from Bacillus subtilis with Sulfate Ion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-09 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.463, 91.350, 109.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 70.220 - 2.660 |
| R-factor | 0.2191 |
| Rwork | 0.215 |
| R-free | 0.29280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h5q |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.125 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 70.224 | 47.056 | 2.800 |
| High resolution limit [Å] | 2.660 | 8.410 | 2.660 |
| Rmerge | 0.016 | 0.891 | |
| Rmeas | 0.065 | ||
| Rpim | 0.030 | 0.009 | 0.468 |
| Total number of observations | 102504 | 3037 | 15080 |
| Number of reflections | 23783 | ||
| <I/σ(I)> | 17.7 | 59.4 | 1.7 |
| Completeness [%] | 99.5 | 98 | 99.7 |
| Redundancy | 4.3 | 3.7 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | Sodium acetate, PEG 3350 |
