6YJ8
DarB-APO
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 | 2019-05-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.670, 67.760, 103.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.240 - 1.840 |
R-factor | 0.2047 |
Rwork | 0.202 |
R-free | 0.25090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yav |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.240 | 50.000 | 1.880 |
High resolution limit [Å] | 1.840 | 17.000 | 1.840 |
Rmerge | 0.052 | 0.045 | 0.577 |
Rmeas | 0.058 | 0.052 | 0.640 |
Total number of observations | 126541 | ||
Number of reflections | 24397 | 35 | 1782 |
<I/σ(I)> | 16.81 | 32.09 | 2.51 |
Completeness [%] | 99.1 | 77.8 | 99.7 |
Redundancy | 5.187 | 3.914 | 5.311 |
CC(1/2) | 0.998 | 0.995 | 0.873 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | 0.2 M calcium acetate, 0.1 M MES pH 6.5, 15 % w/v polyethylene glycol 8000 |