5CGS
CRYSTAL STRUCTURE OF Fox-4 cephamycinase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-21 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.854, 57.085, 56.747 |
| Unit cell angles | 90.00, 96.45, 90.00 |
Refinement procedure
| Resolution | 19.711 - 1.634 |
| R-factor | 0.2021 |
| Rwork | 0.201 |
| R-free | 0.22990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 1ZKJ |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.358 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.5) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.711 | 19.711 | 1.720 |
| High resolution limit [Å] | 1.634 | 5.170 | 1.634 |
| Rmerge | 0.080 | 0.052 | 0.372 |
| Total number of observations | 137328 | 4163 | 13584 |
| Number of reflections | 41748 | ||
| <I/σ(I)> | 7.6 | 15 | 2.1 |
| Completeness [%] | 96.5 | 89.1 | 87.1 |
| Redundancy | 3.3 | 3.3 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.05M zinc acetate, 20% PEG 3350 |
