6XUK
AbLIFT design 15 of Ab 1116NS19.9
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-08-29 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97371 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 64.936, 64.936, 244.109 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.754 - 1.420 |
R-factor | 0.1505 |
Rwork | 0.149 |
R-free | 0.18460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3u7w |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 62.754 | 62.750 | 1.460 |
High resolution limit [Å] | 1.420 | 6.350 | 1.420 |
Rmerge | 0.099 | 0.050 | 1.066 |
Rmeas | 0.109 | 0.056 | 1.179 |
Rpim | 0.043 | 0.024 | 0.490 |
Total number of observations | 7279 | 38874 | |
Number of reflections | 99787 | 1352 | 7241 |
<I/σ(I)> | 7.9 | 19.5 | 1.1 |
Completeness [%] | 100.0 | 100 | 99.7 |
Redundancy | 6.1 | 5.4 | 5.4 |
CC(1/2) | 0.997 | 0.995 | 0.558 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | Ammonium citrate, Immidazole pH7, PEG 2K |