5C5H
R195K E. coli MenE with bound OSB-AMS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-05-02 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.078 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 126.060, 126.060, 111.752 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.260 - 2.401 |
| R-factor | 0.2026 |
| Rwork | 0.200 |
| R-free | 0.24717 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3IPL and 1T5D |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.163 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.108 | 0.924 |
| Number of reflections | 38130 | |
| <I/σ(I)> | 20.3 | 2.2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 12.3 | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 18-22% Peg 4,000 0.2 M MgCl2 0.1 M Tris |
