3FUC
Recombinant calf purine nucleoside phosphorylase in a binary complex with multisubstrate analogue inhibitor 9-(5',5'-difluoro-5'-phosphonopentyl)-9-deazaguanine structure in a new space group with one full trimer in the asymmetric unit
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-18 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0500 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 135.795, 78.253, 94.901 |
| Unit cell angles | 90.00, 97.19, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.450 |
| R-factor | 0.18095 |
| Rwork | 0.180 |
| R-free | 0.19933 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lvu |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.386 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.530 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Number of reflections | 173360 | |
| <I/σ(I)> | 4.4 | 3 |
| Completeness [%] | 99.4 | 99.9 |
| Redundancy | 3.3 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 298 | 33% PEG 400, 0.1M SODIUM AZIDE, 0.1M HEPES, 0.1M MAGNESIUM CHLORIDE, 1% OCTYL BETA-D-GLUCOPYRANOSIDE, pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
