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 |