5M3Q
Crystal structure of Tif6 from Chaetomium thermophilum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-27 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.8726 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.350, 63.372, 78.665 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.256 - 1.500 |
R-factor | 0.1514 |
Rwork | 0.150 |
R-free | 0.17680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1g62 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.569 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.17) |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.720 | 44.720 | 1.530 |
High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
Rmerge | 0.063 | 0.027 | 0.610 |
Rmeas | 0.070 | 0.031 | 0.725 |
Rpim | 0.031 | 0.015 | 0.384 |
Total number of observations | 212576 | 1250 | 6305 |
Number of reflections | 43931 | ||
<I/σ(I)> | 16.8 | 38.1 | 2.4 |
Completeness [%] | 99.3 | 98.4 | 94.2 |
Redundancy | 4.8 | 3.9 | 3.1 |
CC(1/2) | 0.999 | 0.998 | 0.645 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | 0.1 M Na-citrate pH 5.6 0.5 M Ammonium sulfate 1 M Lithium sulfate |