2RIQ
Crystal Structure of the Third Zinc-binding domain of human PARP-1
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-12 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.1, 1.28 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 71.841, 85.652, 67.758 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.700 |
R-factor | 0.18077 |
Rwork | 0.178 |
R-free | 0.23000 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.460 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.048 | 0.380 |
Number of reflections | 22986 | |
<I/σ(I)> | 34.8 | 3.6 |
Completeness [%] | 98.3 | 84.6 |
Redundancy | 8 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 20% ethanol, 100 mM Tris-HCl pH 8.5, 25 mM NaCl, and 0.5 mM TCEP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |