6Y0E
Nbe LBM
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-31 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0032 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.477, 50.612, 93.528 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.764 - 1.500 |
R-factor | 0.1618 |
Rwork | 0.161 |
R-free | 0.18030 |
Structure solution method | SAD |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.11) |
Phasing software | SHELXDE |
Refinement software | PHENIX (1.16-3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.610 | 50.610 | 1.530 |
High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
Rmerge | 0.080 | 0.037 | 0.952 |
Rmeas | 0.083 | 0.039 | 0.993 |
Rpim | 0.023 | 0.011 | 0.279 |
Total number of observations | 443937 | 2945 | 20089 |
Number of reflections | 34335 | 271 | 1644 |
<I/σ(I)> | 22.1 | 67.2 | 2.8 |
Completeness [%] | 99.3 | 99.9 | 98.1 |
Redundancy | 12.9 | 10.9 | 12.2 |
CC(1/2) | 0.999 | 0.999 | 0.774 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 30 %(w/v) PEG 1500 |