1RR6
Structure of human purine nucleoside phosphorylase in complex with Immucillin-H and phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X9A |
Synchrotron site | NSLS |
Beamline | X9A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-10-29 |
Detector | MARRESEARCH |
Wavelength(s) | 0.98 |
Spacegroup name | H 3 2 |
Unit cell lengths | 142.351, 142.351, 167.665 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.500 |
R-factor | 0.247 |
Rwork | 0.243 |
R-free | 0.28400 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1rsz |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 20670 | |
<I/σ(I)> | 27.9 | 3.6 |
Completeness [%] | 91.0 | 93.9 |
Redundancy | 8.6 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 1.8 M ammonium dihydrogen phosphate. 100 mM sodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |