7QOC
Se-Met derivative structure of a small alarmone hydrolase (RelH) from Corynebacterium glutamicum
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 | 2019-06-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97624 |
Spacegroup name | P 63 |
Unit cell lengths | 96.010, 96.010, 80.470 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.010 - 2.300 |
R-factor | 0.1928 |
Rwork | 0.192 |
R-free | 0.21540 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 0.930 |
Data reduction software | XDS (20190315) |
Data scaling software | XDS (20190315) |
Phasing software | CRANK2 (2.0.191) |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.004 | 48.004 | 2.440 |
High resolution limit [Å] | 2.300 | 6.840 | 2.300 |
Rmerge | 0.052 | 0.026 | 1.582 |
Rmeas | 0.057 | 0.028 | 1.735 |
Total number of observations | 219291 | ||
Number of reflections | 36896 | 1395 | 5953 |
<I/σ(I)> | 15.1 | 59.55 | 0.85 |
Completeness [%] | 99.9 | 99.6 | 99.9 |
Redundancy | 5.943 | 6.068 | 5.935 |
CC(1/2) | 0.999 | 0.999 | 0.489 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293.15 | 1 M ammonium phosphate dibasic, 0.1 M Sodium acetate pH 4.5 |