5UQI
E. coli CFT073 c3406 in complex with A5P
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 | 2012-06-13 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9785 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 70.890, 71.830, 76.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.960 - 1.620 |
| R-factor | 0.18106 |
| Rwork | 0.180 |
| R-free | 0.20117 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fxa |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.997 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 17.960 |
| High resolution limit [Å] | 1.620 |
| Number of reflections | 24950 |
| <I/σ(I)> | 6.58 |
| Completeness [%] | 99.3 |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 294 | 0.1 M sodium citrate tribasic dehydrate pH 5.6, 0.5 M NaCl, 2% v/v ethylene imine polymer |
