3INY
Crystal structure of human purine nucleoside phosphorylase in complex with 7-deazaguanine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-02 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.4310 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 138.748, 138.748, 159.366 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.690 - 2.750 |
| R-factor | 0.2123 |
| Rwork | 0.209 |
| R-free | 0.26930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1v41 |
| RMSD bond length | 0.040 |
| RMSD bond angle | 3.570 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.950 | |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.081 | 0.081 |
| <I/σ(I)> | 11 | 3.91 |
| Completeness [%] | 99.1 | 99.1 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | Hanging drops were prepared mixing 1 microL of protein solution and 1 microL of reservoir solution containing 19% ammonium sulfate and 0.5 M sodium citrate pH 5.6. , VAPOR DIFFUSION, HANGING DROP, temperature 293K |
