7JT8
Apo structure of a pseudomurein peptide ligase type E from Methanothermus fervidus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-11-18 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 61 |
Unit cell lengths | 119.783, 119.783, 70.746 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.580 - 1.840 |
R-factor | 0.1771 |
Rwork | 0.175 |
R-free | 0.21110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4qdi |
RMSD bond length | 0.007 |
RMSD bond angle | 0.858 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MrBUMP |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.580 | 1.870 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.091 | 0.878 |
Number of reflections | 50277 | 3066 |
<I/σ(I)> | 29.3 | 4.4 |
Completeness [%] | 99.8 | 97.9 |
Redundancy | 22.4 | |
CC(1/2) | 1.000 | 0.910 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.4 | 293 | 0.2 M ammonium sulfate, 30% w/v PEG4000, pH 5.4 |