3N7M
Crystal structure of W1252A mutant of HCR D/C VPI 5995
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 | 2009-07-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.389, 57.795, 184.664 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.550 - 2.600 |
| R-factor | 0.222 |
| Rwork | 0.222 |
| R-free | 0.27000 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3n7l |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CCP4 |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.550 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 19457 | |
| <I/σ(I)> | 15.5 | 2.5 |
| Completeness [%] | 99.0 | 97.1 |
| Redundancy | 5.2 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | 0.1M Hepes pH 7.5, 4% PEG400, 45% ammonium sulfate, 250mM NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
