7LM4
The crystal structure of the I38T mutant PA Endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-09-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.000 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 89.216, 89.216, 131.779 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.410 - 2.350 |
R-factor | 0.2091 |
Rwork | 0.207 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5vpt |
RMSD bond length | 0.003 |
RMSD bond angle | 0.614 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.570 | 2.430 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.059 | 0.949 |
Rmeas | 0.070 | 1.134 |
Rpim | 0.028 | 0.442 |
Number of reflections | 11436 | 1101 |
<I/σ(I)> | 19 | 1.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10 | 6.5 |
CC(1/2) | 0.999 | 0.691 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M HEPES PH 7.8, 1 M AMMONIUM SULFATE, 10 MM MNCL2, 10 MM MGCL2, 0.5% PVP K15 |