5E2B
Crystal structure of NTMT1 in complex with N-terminally methylated PPKRIA peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-08-08 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 107.268, 107.268, 205.604 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.650 - 1.950 |
R-factor | 0.1537 |
Rwork | 0.152 |
R-free | 0.18750 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | isomorphous structure of NTMT1 in complex with different peptide |
RMSD bond length | 0.017 |
RMSD bond angle | 1.766 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.12) |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.650 | 29.650 | 1.840 |
High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
Rmerge | 0.130 | 0.023 | 1.180 |
Rmeas | 0.133 | 0.024 | 1.208 |
Rpim | 0.028 | 0.006 | 0.257 |
Total number of observations | 1366275 | 9987 | 78226 |
Number of reflections | 64736 | ||
<I/σ(I)> | 27.7 | 114.3 | 3.6 |
Completeness [%] | 99.2 | 97.3 | 98 |
Redundancy | 21.1 | 16.2 | 21.1 |
CC(1/2) | 0.999 | 1.000 | 0.870 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 26% PEG3350, 16% tacsimate |