4CGN
Leishmania major N-myristoyltransferase in complex with a piperidinylindole inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-12 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.220, 91.280, 53.229 |
Unit cell angles | 90.00, 113.28, 90.00 |
Refinement procedure
Resolution | 48.900 - 1.690 |
R-factor | 0.17792 |
Rwork | 0.176 |
R-free | 0.22353 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.021 |
RMSD bond angle | 2.120 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.8.0033) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.000 | 1.720 |
High resolution limit [Å] | 1.690 | 1.690 |
Rmerge | 0.080 | 0.760 |
Number of reflections | 47217 | |
<I/σ(I)> | 10.2 | 1.6 |
Completeness [%] | 99.7 | 99.8 |
Redundancy | 4.1 | 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 |