7LJP
Structure of Thermotoga maritima SmpB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-04-06 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9786 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 92.539, 92.539, 307.943 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.310 - 2.100 |
R-factor | 0.186 |
Rwork | 0.184 |
R-free | 0.21530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1p6v |
RMSD bond length | 0.014 |
RMSD bond angle | 1.166 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.520 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.083 | 0.534 |
Rmeas | 0.086 | 0.546 |
Rpim | 0.018 | 0.116 |
Number of reflections | 46791 | 3737 |
<I/σ(I)> | 22.3 | 6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 21.5 | 22 |
CC(1/2) | 0.999 | 0.967 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.25 | 291 | 100 mM MES, pH 6.25, 2.0 M ammonium sulfate, 10% v/v 1,4-dioxane |