6U7N
Crystal structure of neurotrimin (NTM)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-05-31 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.999990 |
Spacegroup name | I 41 |
Unit cell lengths | 106.049, 106.049, 227.819 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.430 - 3.321 |
R-factor | 0.2298 |
Rwork | 0.229 |
R-free | 0.25010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5uv6 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.431 | 100.000 | 3.380 |
High resolution limit [Å] | 3.320 | 9.010 | 3.320 |
Rmerge | 0.062 | 0.030 | 1.328 |
Rmeas | 0.070 | 0.034 | 1.545 |
Rpim | 0.032 | 0.015 | 0.776 |
Number of reflections | 18288 | 936 | 817 |
<I/σ(I)> | 13 | ||
Completeness [%] | 99.4 | 98.6 | 93.4 |
Redundancy | 4.6 | 4.6 | 3.6 |
CC(1/2) | 0.977 | 0.467 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293.15 | Protein: 5.4 mg/ml NTM in 10 mM HEPES, pH 8.0, 150 mM sodium chloride Reservoir Solution: 2.5 M NaCl, 100 mM sodium acetate pH 4.5, 200 mM lithium sulfate Crystallization Drop: 2 micro-Liters NTM + 2 micro-Liters Reservoir Solution Single crystals grew to a size of ~250 x 150 micro-meters within 7-10 days. Crystals harvested from the crystallization drops were cryo-protected in reservoir solution containing 20% (v/v) ethylene glycol and then flash cooled by plunging into liquid nitrogen |