5CHU
CRYSTAL STRUCTURE OF Fox-4 cephamycinase complexed with sulfate
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 | 2014-08-01 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.97930 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.419, 53.922, 116.167 |
| Unit cell angles | 90.00, 89.87, 90.00 |
Refinement procedure
| Resolution | 19.829 - 1.100 |
| R-factor | 0.1892 |
| Rwork | 0.188 |
| R-free | 0.20360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cgs |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.290 |
| 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] | 19.830 | 19.830 | 1.130 |
| High resolution limit [Å] | 1.070 | 3.390 | 1.070 |
| Rmerge | 0.067 | 0.029 | 0.494 |
| Total number of observations | 992559 | 33867 | 96840 |
| Number of reflections | 283158 | ||
| <I/σ(I)> | 4 | 7.9 | 1.7 |
| Completeness [%] | 98.2 | 98.6 | 88.3 |
| Redundancy | 3.5 | 3.7 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.05M zinc acetate, 20% PEG 3350 |
