2VV6
BJFIXLH IN FERRIC FORM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 48.803, 50.002, 58.999 |
| Unit cell angles | 73.68, 70.36, 72.33 |
Refinement procedure
| Resolution | 44.720 - 1.500 |
| R-factor | 0.183 |
| Rwork | 0.182 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xj3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.435 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.030 | 0.420 |
| Number of reflections | 91144 | |
| <I/σ(I)> | 25 | 2 |
| Completeness [%] | 94.6 | 94.5 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | NACL, PEI, CAPSO, PH 9.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K |
