6HML
POLYADPRIBOSYL GLYCOSIDASE IN COMPLEX WITH PDD00017299
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-08-01 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.310, 90.190, 95.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 67.310 - 2.250 |
R-factor | 0.1639 |
Rwork | 0.162 |
R-free | 0.19650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a0d |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.310 | 2.310 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.083 | 0.758 |
Number of reflections | 28396 | |
<I/σ(I)> | 15.2 | 2.7 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 6.4 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | Mix 750 nL purified protein at 7.5 mg per mL in 50mM HEPES, pH 7.0, 150 mM NaCl, 2mM DTT with 250 nL of seed stock and 1000 nL of a precipitant consisting of 18-23 percent PEG 3350, 0.2 M ammonium sulphate, 0.1 M PCTP pH 7.5. Seed stock was prepared using a Seed Bead from a co-crystal with ADP-ribose, with co-crystallisation mother liquor (19 percent PEG 3350, 0.2 M ammonium sulphate, 0.1 M PCTP pH 7.5) as the stabilising solution |