5NPQ
Human N-myristoyltransferase 1 (MNT1) with Myristoyl-CoA analogue X10 bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-12 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 79.972, 177.454, 58.244 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 88.727 - 2.372 |
R-factor | 0.2022 |
Rwork | 0.199 |
R-free | 0.26060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB 4C2Y |
RMSD bond length | 0.008 |
RMSD bond angle | 1.039 |
Data reduction software | XDS (November 1, 2016) |
Data scaling software | Aimless (0.5.29) |
Phasing software | PHASER (2.7.17) |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 177.454 | 2.413 |
High resolution limit [Å] | 2.372 | 2.372 |
Rmerge | 0.191 | 0.847 |
Rpim | 0.076 | 0.353 |
Number of reflections | 34474 | 1709 |
<I/σ(I)> | 9.3 | 2.2 |
Completeness [%] | 100.0 | 99.7 |
Redundancy | 7.2 | 6.7 |
CC(1/2) | 0.994 | 0.661 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 0.1M NaCit pH 4.5, 5mM NiCl2, 2.5% glycerol and PEG 4K 18% Protein concentration: 7.05 mg/ml |