2VV7
BJFIXLH IN UNLIGANDED FERROUS 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 | 48.646, 49.814, 58.760 |
| Unit cell angles | 73.19, 71.12, 71.74 |
Refinement procedure
| Resolution | 46.270 - 1.810 |
| R-factor | 0.199 |
| Rwork | 0.197 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xj3 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.985 |
| 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 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.050 | 0.420 |
| Number of reflections | 44159 | |
| <I/σ(I)> | 38 | 3 |
| Completeness [%] | 96.1 | 95.7 |
| Redundancy | 3.8 | 3.7 |
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 |
