5U2G
2.6 Angstrom Resolution Crystal Structure of Penicillin-Binding Protein 1A from Haemophilus influenzae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-10-27 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 87.448, 111.928, 107.693 |
Unit cell angles | 90.00, 90.40, 90.00 |
Refinement procedure
Resolution | 29.150 - 2.610 |
R-factor | 0.18074 |
Rwork | 0.179 |
R-free | 0.22277 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.376 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.640 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.083 | 0.684 |
Number of reflections | 62896 | |
<I/σ(I)> | 23.4 | 2.1 |
Completeness [%] | 99.8 | 99.7 |
Redundancy | 3.8 | 3.8 |
CC(1/2) | 0.792 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | Protein: 9.3 mg/ml, 0.5M Sodium chloride, 0.01M Tris HCl (pH 8.3), Screen: Classics II (G5), 0.2M Lithium sulfate, 0.1M Tris (pH 8.5), 25% (w/v) PEG 3350 |