7D4M
Crystal structure of Tmm from strain HTCC7211 soaked with DMS for 5 min
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-01-05 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.025, 81.837, 97.929 |
Unit cell angles | 90.00, 98.12, 90.00 |
Refinement procedure
Resolution | 44.171 - 1.786 |
R-factor | 0.1636 |
Rwork | 0.163 |
R-free | 0.18240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ipy |
RMSD bond length | 0.006 |
RMSD bond angle | 1.158 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
High resolution limit [Å] | 1.786 | 3.880 | 1.800 |
Rmerge | 0.068 | 0.046 | 0.310 |
Rmeas | 0.074 | 0.050 | 0.336 |
Rpim | 0.029 | 0.020 | 0.127 |
Number of reflections | 98586 | 9752 | 9895 |
<I/σ(I)> | 18 | ||
Completeness [%] | 97.7 | 94.9 | 98.6 |
Redundancy | 6.4 | 5.9 | 6.9 |
CC(1/2) | 0.997 | 0.982 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M ammonium citrate tribasic, 0.1 M imidazole (pH 7.0) and 20% (w/v) polyethylene glycol monomethyl ether 2000 |