4YEY
HUaa-20bp
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 12.3.1 |
Synchrotron site | ALS |
Beamline | 12.3.1 |
Temperature [K] | 93.15 |
Detector technology | CCD |
Collection date | 2013-01-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 107.300, 50.750, 62.830 |
Unit cell angles | 90.00, 112.42, 90.00 |
Refinement procedure
Resolution | 58.080 - 3.354 |
R-factor | 0.2368 |
Rwork | 0.235 |
R-free | 0.26660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mul |
RMSD bond length | 0.010 |
RMSD bond angle | 1.140 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | BUSTER-TNT (BUSTER 2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.080 | 3.368 |
High resolution limit [Å] | 3.354 | 3.354 |
Rmerge | 0.046 | 0.708 |
Total number of observations | 16115 | |
Number of reflections | 4566 | |
<I/σ(I)> | 17.03 | 2.701 |
Completeness [%] | 99.4 | 98 |
Redundancy | 3.5 | 3.41 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 298 | 0.1M Bis-Tris pH 6.5, 45% 2-Methyl-2,4-pentadiol, 0.2M NH4F |