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 |