6H81
MamM CTD E289H - Nickel form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-06-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.977999 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 37.060, 94.532, 53.539 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.270 - 1.500 |
R-factor | 0.19853 |
Rwork | 0.198 |
R-free | 0.21308 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w5x |
RMSD bond length | 0.009 |
RMSD bond angle | 1.458 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0171) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.270 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.049 | |
Number of reflections | 15422 | |
<I/σ(I)> | 22.6 | 1.1 |
Completeness [%] | 99.5 | 90.4 |
Redundancy | 13.2 | |
CC(1/2) | 0.999 | 0.611 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M AmSu, 0.1M BIS-TRIS pH=5.5, 25% PEG 3350, 1.7 mM NiCl2 |