4M1E
Crystal structure of purine nucleoside phosphorylase I from Planctomyces limnophilus DSM 3776, NYSGRC Target 029364.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-18 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 |
| Unit cell lengths | 80.950, 81.060, 91.616 |
| Unit cell angles | 103.42, 105.36, 112.73 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.2154 |
| Rwork | 0.213 |
| R-free | 0.25750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3la8 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.424 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.5.1) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
| Rmerge | 0.113 | 0.090 | 0.718 |
| Number of reflections | 148934 | ||
| <I/σ(I)> | 9.7 | ||
| Completeness [%] | 97.0 | 98.7 | 94.3 |
| Redundancy | 2.1 | 2.2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1 M MES:NaOH, pH 6.5, 1.6 Magnesium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
