2OC9
Crystal structure of human purine nucleoside phosphorylase mutant H257G with Imm-H
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-05-11 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.100 |
Spacegroup name | H 3 2 |
Unit cell lengths | 142.170, 142.170, 168.674 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 8.000 - 2.590 |
R-factor | 0.197 |
Rwork | 0.194 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rr6 |
RMSD bond length | 0.024 |
RMSD bond angle | 2.246 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.690 |
High resolution limit [Å] | 2.590 | 2.590 |
Rmerge | 0.079 | 0.437 |
Number of reflections | 19978 | |
<I/σ(I)> | 9.4 | 1.6 |
Completeness [%] | 97.2 | 75.8 |
Redundancy | 6.5 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 0.1 M Sodium Acetate, 4.0 M Ammonium Acetate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |