1PWY
CRYSTAL STRUCTURE OF HUMAN PNP COMPLEXED WITH ACYCLOVIR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 104 |
| Detector technology | CCD |
| Collection date | 2003-04-16 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.431 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 139.060, 139.060, 160.570 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 7.000 - 2.800 |
| R-factor | 0.215 |
| Rwork | 0.215 |
| R-free | 0.30100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m73 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 25.696 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.381 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.376 * | |
| Total number of observations | 34461 * | |
| Number of reflections | 13520 * | |
| <I/σ(I)> | 7.5 | 1.3 |
| Completeness [%] | 91.4 | 96.4 |
| Redundancy | 5.5 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 * | 25 * | 17.5% AMMONIUM SULFATE, pH 5.30, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 13 (mg/ml) | |
| 2 | 1 | drop | potassium phosphate | 10 (mM) | pH7.1 |
| 3 | 1 | drop | acyclovir | 0.6 (mM) | |
| 4 | 1 | reservoir | ammonium sulfate | 17 (%sat) | |
| 5 | 1 | reservoir | citrate | 0.05 (M) | pH5.3 |
