3W8M
Crystal Structure of HasAp with Iron Salophen
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 63 |
| Unit cell lengths | 98.212, 98.212, 32.662 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.630 - 1.460 |
| R-factor | 0.183 |
| Rwork | 0.182 |
| R-free | 0.20590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ell |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.261 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.510 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.051 | 0.247 |
| Number of reflections | 30551 | |
| <I/σ(I)> | 31.2 | 3.8 |
| Completeness [%] | 96.7 | 82 |
| Redundancy | 6.6 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.25 | 293 | 50mM MES, 1.7M Lithium sulfate, 12mM Magnesium sulfate, pH 5.25, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
