4BRM
Sulfur SAD phasing of the Legionella pneumophila NTPDase1 - crystal form III (closed) in complex with sulfate
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 | 79.966, 84.314, 102.108 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.530 - 2.020 |
R-factor | 0.16381 |
Rwork | 0.161 |
R-free | 0.21639 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.018 |
RMSD bond angle | 1.907 |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 32.500 |
High resolution limit [Å] | 2.000 |
Rmerge | 0.040 |
Number of reflections | 43436 |
<I/σ(I)> | 41.3 |
Completeness [%] | 94.4 |
Redundancy | 14.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 3.7 | 100MM NAAC PH 3.7; 300MM NA2SO4; 20% PEG1000 |