6HMK
POLYADPRIBOSYL GLYCOHYDROLASE IN COMPLEX WITH PDD00016690
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-07-11 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.090, 90.110, 95.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.770 - 2.060 |
R-factor | 0.1554 |
Rwork | 0.154 |
R-free | 0.18880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a0d |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.830 | 2.160 |
High resolution limit [Å] | 2.060 | 2.060 |
Rmerge | 0.092 | 0.597 |
Number of reflections | 36540 | |
<I/σ(I)> | 11.4 | 3.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.9 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 750 nL purified protein at 7.5 mg/mL in 50 mM HEPES, pH 7.0, 150 mM NaCl, 2 mM DTT was mixed with 250 nL of seed stock and 1000 nL of a precipitant consisting of 18-23 % (w/v) PEG-3350, 0.2 M ammonium sulphate, 0.1 M PCTP pH 7.5. Seed stock was prepared using a Seed BeadTM (Hampton Research) from a co-crystal of GS-PARG(448-976 [K617A, Q618A, K619A, E688A, K689A, K690A]) with ADP-ribose, with co-crystallisation mother liquor (19 % (w/v) PEG-3350, 0.2 M ammonium sulphate, 0.1 M PCTP pH 7.5) as the stabilising solution. The final volume of the seed stock was 100 microL. |