6ZMA
Structure of the tRNA-Monooxygenase enzyme MiaE frozen under 140 bar of krypton using the soak and freeze methodology
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-01-31 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.8610 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 117.622, 52.300, 79.407 |
Unit cell angles | 90.00, 90.74, 90.00 |
Refinement procedure
Resolution | 79.400 - 2.150 |
R-factor | 0.1828 |
Rwork | 0.180 |
R-free | 0.24390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2itb |
RMSD bond length | 0.010 |
RMSD bond angle | 1.435 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.000 | 2.280 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmeas | 0.076 | 0.095 |
Number of reflections | 25240 | 3108 |
<I/σ(I)> | 15.7 | 1.4 |
Completeness [%] | 94.6 | 72.8 |
Redundancy | 6.1 | 3.9 |
CC(1/2) | 0.990 | 0.690 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 294 | MiaE:20 mg/ml in 100 mM HEPES, pH 7.5, 30 mM NaCl reservoir solution: 0.5 M CaCl2, 42% PEG 6k, 2 M Tris-Cl pH 8 frozen under 140 bar of krypton Krypton atoms were located in anomalous map |