6XQZ
Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae at pH 7.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-08-13 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.540, 77.480, 86.710 |
Unit cell angles | 90.00, 91.87, 90.00 |
Refinement procedure
Resolution | 42.520 - 2.040 |
R-factor | 0.1663 |
Rwork | 0.164 |
R-free | 0.21250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6p53 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.944 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (1.17.1_3660) |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.520 | 2.110 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmeas | 0.069 | 0.394 |
Number of reflections | 35213 | 3454 |
<I/σ(I)> | 16.47 | 4.09 |
Completeness [%] | 98.0 | 96.9 |
Redundancy | 4.2 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 15% PEG 400, 50 mM HEPES (pH 7.5) 25 mM Tris (pH 7.5), 50 mM KCl |