5HLB
E. coli PBP1b in complex with acyl-aztreonam and moenomycin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-02-23 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1.00 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 62.530, 64.390, 301.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.430 - 2.420 |
R-factor | 0.2263 |
Rwork | 0.225 |
R-free | 0.24320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vma |
RMSD bond length | 0.009 |
RMSD bond angle | 1.280 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.390 | 2.480 |
High resolution limit [Å] | 2.420 | 2.420 |
Rmerge | 0.058 | 0.552 |
Number of reflections | 45993 | |
<I/σ(I)> | 12.7 | |
Completeness [%] | 96.7 | |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | Drops contained 1uL of protein solution (20mg/mL protein, 100uM moenomycin and 2mM aztreonam) mixed with an equal volume of precipitant (20% w/v PEG 3350, 0.2M potassium/sodium tartate, 0.1M Bis Tris pH 8.5). |