3IU2
Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD90096
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-07-17 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 58.572, 77.739, 179.627 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.600 - 1.730 |
R-factor | 0.20795 |
Rwork | 0.207 |
R-free | 0.23488 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.252 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.830 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 0.060 | 0.337 |
Number of reflections | 84453 | |
<I/σ(I)> | 20.29 | 4.12 |
Completeness [%] | 98.1 | 88.2 |
Redundancy | 6.59 | 4.97 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.7 | 293 | 19% PEG3350, 0.2M di-Ammonium hydrogen Citrate, pH 5.7, VAPOR DIFFUSION, SITTING DROP, temperature 293K |