5G20
Leishmania major N-myristoyltransferase in complex with a quinoline inhibitor (compound 19).
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 | 2012-10-21 |
Detector | DECTRIS PILATUS |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.718, 90.651, 52.913 |
Unit cell angles | 90.00, 112.72, 90.00 |
Refinement procedure
Resolution | 48.810 - 1.520 |
R-factor | 0.17586 |
Rwork | 0.174 |
R-free | 0.21942 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.025 |
RMSD bond angle | 2.346 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.000 | 1.550 |
High resolution limit [Å] | 1.520 | 1.520 |
Rmerge | 0.060 | 0.760 |
Number of reflections | 63023 | |
<I/σ(I)> | 10 | 1.5 |
Completeness [%] | 98.8 | 97.5 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 30% PEG 1500, 0.2 M NACL, 0.1 M NA CACODYLATE, PH 5.5 |