7ODQ
Neisseria gonorrhoeae transaldolase at 5.4 MGy dose
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 | 2020-12-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.200, 82.850, 89.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.160 - 1.400 |
R-factor | 0.1483 |
Rwork | 0.147 |
R-free | 0.17240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6zx4 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.160 | 38.160 | 1.440 |
High resolution limit [Å] | 1.400 | 6.260 | 1.400 |
Rmerge | 0.105 | 0.037 | 2.423 |
Rmeas | 0.109 | 0.039 | 2.518 |
Total number of observations | 834239 | ||
Number of reflections | 62051 | 799 | 4486 |
<I/σ(I)> | 13.53 | 50.63 | 1.04 |
Completeness [%] | 99.1 | 97 | 98.7 |
Redundancy | 13.444 | 11.71 | 13.335 |
CC(1/2) | 0.999 | 0.999 | 0.535 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | PEG8000, Sodium citrate, sodium phosphate |