5K8A
NIST FAB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-03-11 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97926 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 149.156, 149.203, 195.032 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.870 - 1.999 |
R-factor | 0.1656 |
Rwork | 0.164 |
R-free | 0.18920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qwo |
RMSD bond length | 0.012 |
RMSD bond angle | 1.548 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.5.7) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 2.030 |
High resolution limit [Å] | 1.999 | 5.390 | 1.999 |
Rmerge | 0.083 | 0.045 | 0.841 |
Number of reflections | 147109 | ||
<I/σ(I)> | 8.1 | ||
Completeness [%] | 99.7 | 99.7 | 96.1 |
Redundancy | 5.9 | 5.8 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 297 | 25 mg/mL ptn, 1.9 M AmSO4, 200 mM LiSO4, 100 mM Histidine |