6GMT
MamM CTD - Cadmium form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-23 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.96771 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 36.534, 94.246, 53.320 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.120 - 1.590 |
R-factor | 0.1892 |
Rwork | 0.187 |
R-free | 0.23930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w5x |
RMSD bond length | 0.028 |
RMSD bond angle | 2.620 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.1) |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.120 | 47.120 | 1.610 |
High resolution limit [Å] | 1.590 | 8.690 | 1.590 |
Rmerge | 0.027 | 0.021 | 1.046 |
Rmeas | 0.031 | 0.025 | 1.212 |
Rpim | 0.015 | 0.014 | 0.597 |
Number of reflections | 12566 | 57 | 597 |
<I/σ(I)> | 20.6 | ||
Completeness [%] | 98.2 | 55 | 97.9 |
Redundancy | 3.9 | 2.8 | 4 |
CC(1/2) | 1.000 | 0.998 | 0.445 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M Lithium sulfate, 0.1M BIS-TRIS pH=5.7, 25% PEG 3350, 1.7 mM CdCl2 |