7NZJ
Structure of bsTrmB 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 | 2019-10-27 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 |
Unit cell lengths | 42.620, 103.680, 103.690 |
Unit cell angles | 118.12, 97.91, 97.84 |
Refinement procedure
Resolution | 44.530 - 1.980 |
R-factor | 0.1893 |
Rwork | 0.187 |
R-free | 0.22270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fca |
RMSD bond length | 0.008 |
RMSD bond angle | 1.321 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.530 | 2.000 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.072 | 1.344 |
Rmeas | 0.083 | 1.557 |
Total number of observations | 372163 | |
Number of reflections | 96395 | 2799 |
<I/σ(I)> | 12.47 | 1.08 |
Completeness [%] | 91.5 | 89.9 |
Redundancy | 3.861 | 3.896 |
CC(1/2) | 0.998 | 0.548 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.2M NaCl, 0.1M MES, 15% v/v 5/4PO/OH, |