Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X26C |
Synchrotron site | NSLS |
Beamline | X26C |
Temperature [K] | 100 |
Wavelength(s) | 0.979 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 75.233, 75.233, 75.311 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 99.000 - 1.600 |
Rwork | 0.191 |
R-free | 0.20200 |
Structure solution method | MAD |
RMSD bond length | 0.004 |
RMSD bond angle | 1.330 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.071 | 0.525 |
Total number of observations | 337226 * | |
Number of reflections | 33002 | |
<I/σ(I)> | 12.4 | 5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 298 | 12% PEG 3350, 0.1M Tris.base, 5% MPD, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 8 (mg/ml) | |
2 | 1 | drop | Tris | 20 (mM) | pH7.5 |
3 | 1 | drop | 50 (mM) | ||
4 | 1 | drop | EDTA | 1 (mM) | |
5 | 1 | drop | beta-mercaptoethanol | 1 (mM) | |
6 | 1 | reservoir | PEG3350 | 12 (%) | |
7 | 1 | reservoir | Tris | 0.1 (M) | pH8.5 |
8 | 1 | reservoir | MPD | 5 (%) |