3Q71
Human parp14 (artd8) - macro domain 2 in complex with adenosine-5-diphosphoribose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-5 |
Synchrotron site | MAX II |
Beamline | I911-5 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-29 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9077 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 66.350, 66.350, 110.690 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.730 - 2.200 |
R-factor | 0.19088 |
Rwork | 0.187 |
R-free | 0.22273 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3iid |
RMSD bond length | 0.010 |
RMSD bond angle | 1.298 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | BALBES |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.149 | 0.584 |
Number of reflections | 14842 | |
<I/σ(I)> | 14 | 4.2 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 9 | 9.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.1 | 277 | 1.4M Ammonium Sulfate, 0.1M Sodium Acetate, 0.4M Sodium Chloride, 4mM ADP-ribose, 4mM Magnesium Chloride, pH 5.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K |