7ZTK
NME1 in complex with CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-17 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.966 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.173, 69.450, 116.296 |
Unit cell angles | 90.00, 90.06, 90.00 |
Refinement procedure
Resolution | 49.130 - 2.600 |
R-factor | 0.2733 |
Rwork | 0.273 |
R-free | 0.28930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ui4 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.130 | 2.693 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.254 | 1.046 |
Rmeas | 0.307 | 1.253 |
Rpim | 0.170 | 0.684 |
Number of reflections | 26764 | 2649 |
<I/σ(I)> | 3.37 | 0.84 |
Completeness [%] | 99.2 | 98.53 |
Redundancy | 3.2 | 3.3 |
CC(1/2) | 0.945 | 0.542 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 36% PEG 3350, 0.2M Mg(NO3) |