4CGO
Leishmania major N-myristoyltransferase in complex with a thienopyrimidine 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 | 2012-03-08 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.813, 90.628, 53.200 |
Unit cell angles | 90.00, 111.91, 90.00 |
Refinement procedure
Resolution | 49.360 - 1.300 |
R-factor | 0.16325 |
Rwork | 0.162 |
R-free | 0.19558 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.027 |
RMSD bond angle | 2.640 |
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 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.050 | 0.620 |
Number of reflections | 99146 | |
<I/σ(I)> | 14.7 | 1.9 |
Completeness [%] | 96.2 | 70 |
Redundancy | 4.1 | 3.3 |
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 |