7LBA
E. coli Agmatinase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 31 |
| Unit cell lengths | 139.809, 139.809, 222.987 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 82.020 - 2.200 |
| R-factor | 0.1812 |
| Rwork | 0.179 |
| R-free | 0.21320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dz4 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.199 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 82.020 | 82.020 | 2.240 |
| High resolution limit [Å] | 2.200 | 12.050 | 2.200 |
| Rmerge | 0.123 | 0.043 | 0.611 |
| Rmeas | 0.136 | 0.047 | 0.670 |
| Rpim | 0.056 | 0.019 | 0.273 |
| Total number of observations | 1435676 | 9346 | 73154 |
| Number of reflections | 247407 | 1512 | 12309 |
| <I/σ(I)> | 11.2 | 22.1 | 3.4 |
| Completeness [%] | 99.9 | 99.6 | 100 |
| Redundancy | 5.8 | 6.2 | 5.9 |
| CC(1/2) | 0.996 | 0.999 | 0.785 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 3.5 M Sodium Formate, 0.1 M Tris, pH 8.5 |
