3S4X
Crystal structure of the Asn152Gly mutant of P99 beta-lactamase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-14 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 78.956, 85.481, 51.681 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 1.950 |
| R-factor | 0.1785 |
| Rwork | 0.176 |
| R-free | 0.23359 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xx2 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.324 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.104 | |
| Number of reflections | 25774 | |
| <I/σ(I)> | 10.9 | |
| Completeness [%] | 98.3 | 98.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.15 M ammonium sulfate, 30% polyethylene glycol (PEG) 8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
