3WAH
Crystal Structure of HasAp with Iron MesoporphyrinIX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-01-26 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 31 |
| Unit cell lengths | 47.518, 47.518, 140.893 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.700 - 1.540 |
| R-factor | 0.1762 |
| Rwork | 0.175 |
| R-free | 0.19380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ell |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.350 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.600 |
| High resolution limit [Å] | 1.540 | 3.320 | 1.540 |
| Rmerge | 0.067 | 0.054 | 0.270 |
| Number of reflections | 51545 | ||
| <I/σ(I)> | 21.1 | ||
| Completeness [%] | 97.7 | 99.2 | 85.7 |
| Redundancy | 4.7 | 5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 80% (v/v) PEG 400, 0.1M MES, 0.1M Ammonium chloride, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
