4BRL
Legionella pneumophila NTPDase1 crystal form III (closed) in complex with transition state mimic guanosine 5'-phosphovanadate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.994, 83.463, 109.289 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.880 - 1.600 |
R-factor | 0.14499 |
Rwork | 0.144 |
R-free | 0.19773 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.020 |
RMSD bond angle | 1.847 |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 20.000 |
High resolution limit [Å] | 1.600 |
Rmerge | 0.060 |
Number of reflections | 97136 |
<I/σ(I)> | 14 |
Completeness [%] | 99.2 |
Redundancy | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.4 | 100MM NAMES PH 5.4, 100MM NACL, 12% PEG3350, 20MM MGCL2, 10MM GMP |