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 |