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 |
