7DRM
Structure of ATP-grasp ligase PsnB complexed with minimal precursor, Mg, and ADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-10-18 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97934 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 92.432, 91.294, 100.308 |
Unit cell angles | 90.00, 101.16, 90.00 |
Refinement procedure
Resolution | 32.830 - 3.280 |
R-factor | 0.251 |
Rwork | 0.251 |
R-free | 0.25910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ig9 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 32.830 | 32.830 | 3.360 |
High resolution limit [Å] | 3.280 | 8.940 | 3.280 |
Rmerge | 0.139 | 0.063 | 0.656 |
Rmeas | 0.150 | 0.069 | 0.704 |
Rpim | 0.055 | 0.026 | 0.256 |
Number of reflections | 25135 | 1303 | 1270 |
<I/σ(I)> | 10.1 | ||
Completeness [%] | 99.9 | 98.3 | 100 |
Redundancy | 7.4 | 6.7 | 7.5 |
CC(1/2) | 0.995 | 0.922 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 293 | Sodium acetate, PEG3350 |