8FCH
Apo Structure of (N1G37) Methyltransferase from Mycobacterium avium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-07 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9201 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 71.200, 71.200, 240.405 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 68.270 - 1.956 |
R-factor | 0.2358 |
Rwork | 0.234 |
R-free | 0.26100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5zhi |
RMSD bond length | 0.008 |
RMSD bond angle | 0.840 |
Data reduction software | XDS (Feb 5, 2021) |
Data scaling software | Aimless (0.7.7) |
Phasing software | EPMR |
Refinement software | BUSTER (2.10.4) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 68.269 | 68.269 | 2.182 |
High resolution limit [Å] | 1.956 | 6.456 | 1.956 |
Rmerge | 0.092 | 0.062 | 0.625 |
Rmeas | 0.112 | 0.076 | 0.768 |
Rpim | 0.063 | 0.042 | 0.440 |
Total number of observations | 82054 | 3978 | 3546 |
Number of reflections | 27639 | 1382 | 1382 |
<I/σ(I)> | 6.56 | 13.13 | 1.7 |
Completeness [%] | 92.5 | 94.4 | 75 |
Completeness (spherical) [%] | 60.2 | 94.4 | 11.0 |
Completeness (ellipsoidal) [%] | 92.5 | 94.4 | 75.0 |
Redundancy | 2.97 | 2.88 | 2.57 |
CC(1/2) | 0.991 | 0.990 | 0.674 |
Anomalous completeness (spherical) | 50.6 | 96.6 | 7.1 |
Anomalous completeness | 80.5 | 96.6 | 55.1 |
Anomalous redundancy | 1.7 | 1.8 | 1.5 |
CC(ano) | -0.057 | -0.010 | -0.111 |
|DANO|/σ(DANO) | 0.8 | 0.7 | 0.7 |
Diffraction limits | Principal axes of ellipsoid fitted to diffraction cut-off surface |
2.474 Å | 1.000, 1.000, 1.000 |
2.474 Å | 0.000, 0.000, 0.000 |
1.904 Å | 0.000, 0.000, 0.000 |
Criteria used in determination of diffraction limits | local <I/sigmaI> ≥ 1.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 0.2 M sodium sulfate, 0.1M bis-tris propane, pH 8.5, 20% PEG 3350 |