4MAR
Crystal structure of purine nucleoside phosphorylase from Meiothermus ruber DSM 1279 complexed with sulfate.
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-08-12 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9791 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 57.403, 189.103, 152.235 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.560 - 2.160 |
| R-factor | 0.1903 |
| Rwork | 0.188 |
| R-free | 0.22560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4m3n |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.194 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.200 |
| High resolution limit [Å] | 2.160 | 5.860 | 2.160 |
| Rmerge | 0.143 | 0.075 | 0.429 |
| Number of reflections | 44423 | ||
| <I/σ(I)> | 8.1 | ||
| Completeness [%] | 99.1 | 99.4 | 93.2 |
| Redundancy | 6.7 | 6.6 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 298 | 0.1M citrte, pH 4.0, 0.8M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
