3FHB
Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor 3-aminobenzoic acid
Replaces: 2PA9Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-09-14 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.98000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.240, 56.700, 56.480 |
Unit cell angles | 90.00, 112.86, 90.00 |
Refinement procedure
Resolution | 19.170 - 2.300 |
R-factor | 0.1817 |
Rwork | 0.178 |
R-free | 0.25379 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.321 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0044) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.400 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.156 | 0.480 |
Number of reflections | 14283 | |
<I/σ(I)> | 8.73 | 2.73 |
Completeness [%] | 98.5 | 96.3 |
Redundancy | 3.7 | 3.65 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 298 | 1.8 M DL-Malic acid, 0.1 M Bis-Tris propane - seeding, pH 7.0, VAPOR DIFFUSION, temperature 298K |