3REE
Crystal structure of mitoNEET
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-08-11 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 58.640, 58.640, 177.610 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.320 - 1.760 |
R-factor | 0.2032 |
Rwork | 0.202 |
R-free | 0.22850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qd0 |
RMSD bond length | 0.034 |
RMSD bond angle | 2.570 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 55.684 | 30.382 | 1.860 |
High resolution limit [Å] | 1.760 | 5.570 | 1.760 |
Rmerge | 0.036 | 0.514 | |
Total number of observations | 3476 | 14897 | |
Number of reflections | 15831 | ||
<I/σ(I)> | 13.7 | 17.2 | 1.5 |
Completeness [%] | 99.8 | 96.8 | 100 |
Redundancy | 6.9 | 6.2 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | Crystals were grown by mixing 1 microliter of mitoNEET 23.3 mg/mL in 50 mM Tris HCl, 0.3 M NaCl, pH 8.5 with 1 microliter of 0.1 M Tris HCl, 1.5 ~ 1.8 M ammonium sulfate, pH 8.5 solution against the same solution. Crystals were appeared in 3 days and flash frozen by transfering into 0.1 M Tris HCl, 1.5 ~ 1.8 M amomnium acete, pH 8.5, 20% xylitol for a few minutes, VAPOR DIFFUSION, HANGING DROP, temperature 291K |