6NTW
Crystal structure of E. coli YcbB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9774 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 126.499, 126.499, 88.801 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 89.448 - 2.760 |
| R-factor | 0.2583 |
| Rwork | 0.256 |
| R-free | 0.29810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.878 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 89.448 | 47.590 | 1.780 |
| High resolution limit [Å] | 1.750 | 9.090 | 1.750 |
| Rmerge | 0.415 | 0.043 | |
| Rmeas | 0.437 | 0.045 | |
| Rpim | 0.132 | 0.014 | |
| Total number of observations | 619864 | 6310 | 1887 |
| Number of reflections | 18943 | 615 | 1320 |
| <I/σ(I)> | 3.2 | 46.4 | |
| Completeness [%] | 90.4 | 99.5 | 33.6 |
| Redundancy | 9.4 | 10.3 | 1.4 |
| CC(1/2) | 0.995 | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 298.15 | 0.2 uL protein solution (30 mg/mL purified protein in 20 mM HEPES pH 8.0, 300 mM NaCl) and 1 uL of mother liquor (1.44 M lithium sulfate, 0.08 M HEPES pH 7.5, 0.02 M sodium acetate pH 4.6, 0.015 M ammonium sulfate, 4% (w/v) polyethylene glycol (PEG) 2000 monomethyl ether (MME)) with the addition of 1 mM meropenem and L-Ala-D-Glu-mDAP-D-Ala at 1 mM |
