6QTL
Caffeine recognizing nanobody
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-19 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 83.260, 60.990, 87.670 |
Unit cell angles | 90.00, 93.69, 90.00 |
Refinement procedure
Resolution | 58.400 - 2.250 |
R-factor | 0.1963 |
Rwork | 0.194 |
R-free | 0.25940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qsk |
RMSD bond length | 0.007 |
RMSD bond angle | 0.929 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 58.400 | 58.400 | 2.200 |
High resolution limit [Å] | 2.000 | 10.000 | 2.000 |
Rmerge | 0.141 | 0.032 | 0.755 |
Rmeas | 0.150 | 0.035 | 0.799 |
Total number of observations | 491122 | ||
Number of reflections | 54239 | 500 | 12288 |
<I/σ(I)> | 10.47 | 36.9 | 3.01 |
Completeness [%] | 91.0 | 95.8 | 83.3 |
Redundancy | 9.055 | 7.852 | 9.141 |
CC(1/2) | 0.999 | 1.000 | 0.931 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2M MgCl2, NaAc pH 5.5 100mM, PEG 2k 25% |