5HLA
E. coli PBP1b in complex with acyl-cephalexin 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 | 62.700, 63.760, 297.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 62.350 - 2.360 |
| R-factor | 0.2388 |
| Rwork | 0.238 |
| R-free | 0.24750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vma |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.110 |
| 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] | 63.760 | 2.420 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Rmerge | 0.090 | 0.650 |
| Number of reflections | 49407 | |
| <I/σ(I)> | 13.2 | |
| Completeness [%] | 98.7 | |
| Redundancy | 4.7 |
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 cephalexin) mixed with an equal volume of precipitant (20% w/v PEG 3350, 0.2M potassium/sodium tartate, 0.1M Bis Tris pH 8.5). |
