4YFM
Class A beta-lactamase from Mycobacterium abscessus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-24 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9801 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.490, 65.210, 107.420 |
| Unit cell angles | 90.00, 90.94, 90.00 |
Refinement procedure
| Resolution | 41.450 - 1.400 |
| R-factor | 0.14447 |
| Rwork | 0.143 |
| R-free | 0.17120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gdn |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.027 |
| Data reduction software | XDS (November 3, 2014) |
| Data scaling software | XSCALE (November 3, 2014) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.500 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.066 | 0.669 |
| Number of reflections | 93890 | |
| <I/σ(I)> | 11.29 | 1.34 |
| Completeness [%] | 94.6 | 73.2 |
| Redundancy | 3.3 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M sodium acetate, 0.1 MES (pH 6.5), 32% polyethylene glycol monomethyl ether 2000 |
