3K1P
Crystal Structure of full-length BenM E226K mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-28 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.99999 |
| Spacegroup name | P 2 2 21 |
| Unit cell lengths | 70.600, 70.700, 187.277 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.270 - 3.000 |
| R-factor | 0.199 |
| Rwork | 0.197 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f97 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.125 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.087 | 0.296 |
| Number of reflections | 17861 | |
| <I/σ(I)> | 18.9 | 4.7 |
| Completeness [%] | 90.3 | 70.2 |
| Redundancy | 4.3 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | Precipitant:20% v/v Jeffamine M-600, 0.1 M HEPES pH 7.5. Protein: 30 mM Tris base (pH 9.0), 0.5 M NaCl, 10% glycerol, 250 mM imidazole, 10 mM BME Reservior contains 60% protein buffer, 40% Crystal Screen II31, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
