7QOE
Structure of a small alarmone hydrolase from Leptospira levettii
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 | 2019-08-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97624 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 98.708, 98.708, 40.086 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.140 - 1.200 |
R-factor | 0.1531 |
Rwork | 0.152 |
R-free | 0.18140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | SeMet RelH |
Data reduction software | XDS (20190315) |
Data scaling software | XDS (20190315) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.19.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.144 | 44.144 | 1.270 |
High resolution limit [Å] | 1.200 | 3.590 | 1.200 |
Rmerge | 0.068 | 0.045 | 3.948 |
Rmeas | 0.071 | 0.047 | 4.172 |
Total number of observations | 1147266 | ||
Number of reflections | 118506 | 4443 | 19139 |
<I/σ(I)> | 12.06 | 50.24 | 0.49 |
Completeness [%] | 100.0 | 99.9 | 99.9 |
Redundancy | 9.681 | 9.796 | 9.584 |
CC(1/2) | 0.999 | 0.999 | 0.410 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | 0.2 M sodium acetate trihydrate pH 7, 20% (w/v) PEG 3350 |