7BBX
Neisseria gonorrhoeae transaldolase, variant K8A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-09-04 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.68880 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.420, 82.890, 90.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.390 - 0.850 |
R-factor | 0.1081 |
Rwork | 0.108 |
R-free | 0.11910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3clm |
RMSD bond length | 0.008 |
RMSD bond angle | 1.142 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.17) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.391 | 50.000 | 0.870 |
High resolution limit [Å] | 0.850 | 10.000 | 0.850 |
Rmerge | 0.048 | 0.036 | 2.227 |
Rmeas | 0.050 | 0.042 | 2.347 |
Number of reflections | 276361 | 177 | 17731 |
<I/σ(I)> | 22.75 | 42.9 | 1.11 |
Completeness [%] | 99.2 | 81.6 | 95.2 |
Redundancy | 12.796 | 4.695 | 9.979 |
CC(1/2) | 0.999 | 0.995 | 0.460 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | PEG8000, Sodium citrate, Sodium phosphate, Sodium chloride |