4CYP
Leishmania major N-myristoyltransferase in complex with a pyrrolidine inhibitor.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-05-28 |
Detector | DECTRIS PILATUS |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.262, 92.494, 53.717 |
Unit cell angles | 90.00, 112.93, 90.00 |
Refinement procedure
Resolution | 49.470 - 1.550 |
R-factor | 0.20731 |
Rwork | 0.205 |
R-free | 0.25240 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.024 |
RMSD bond angle | 2.271 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.000 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.040 | 0.820 |
Number of reflections | 62049 | |
<I/σ(I)> | 11.3 | 1.2 |
Completeness [%] | 98.7 | 98.7 |
Redundancy | 3.5 | 3.4 |
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 |