3K1N
Crystal Structure of full-length BenM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-09-22 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.00800 |
| Spacegroup name | P 2 2 21 |
| Unit cell lengths | 70.240, 70.100, 187.870 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.040 - 2.990 |
| R-factor | 0.156 |
| Rwork | 0.155 |
| R-free | 0.18000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f97 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.221 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.110 |
| High resolution limit [Å] | 2.990 | 2.990 |
| Rmerge | 0.076 | 0.304 |
| Number of reflections | 17220 | |
| <I/σ(I)> | 15.4 | 4.09 |
| Completeness [%] | 87.2 | 90 |
| Redundancy | 4.7 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH UNDER OIL | 9 | 295 | Precipitant: 35% v/v iso-propanol, 0.1 M Tris HCl pH 8.5, 0.2 M Ammonium acetate. Protein: 30 mM Tris base pH 9.0, 0.5 M NaCl, 10% glycerol, 250 mM imidazole, 10 mM BME, MICROBATCH UNDER OIL, temperature 295K |
