7BAF
Crystal structure of PAFB in complex with zinc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-09-21 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.98013 |
| Spacegroup name | P 31 |
| Unit cell lengths | 32.942, 32.942, 42.825 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.530 - 1.123 |
| R-factor | 0.1818 |
| Rwork | 0.182 |
| R-free | 0.18520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6haj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.070 |
| Data reduction software | pointless |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3 (18-SEP-2020)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.530 | 28.530 | 1.180 |
| High resolution limit [Å] | 1.120 | 3.550 | 1.120 |
| Rmerge | 0.163 | 0.116 | 1.014 |
| Rmeas | 0.172 | 0.122 | 1.095 |
| Rpim | 0.055 | 0.038 | 0.405 |
| Total number of observations | 186816 | 6205 | 21226 |
| Number of reflections | 19859 | 631 | 2894 |
| <I/σ(I)> | 10.4 | 23 | 2.6 |
| Completeness [%] | 99.9 | 99.9 | 99.5 |
| Redundancy | 9.4 | 9.8 | 7.3 |
| CC(1/2) | 0.995 | 0.991 | 0.691 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293.15 | 0.1 M BIS-TRIS pH 5.5, 25 % PEG 3350, 0.2 M NH4CH3COO |
