5XHL
Crystal Structure of HasAp with Gallium Phthalocyanine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-03 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 61 |
| Unit cell lengths | 153.625, 153.625, 36.761 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.410 - 2.500 |
| R-factor | 0.1927 |
| Rwork | 0.190 |
| R-free | 0.23830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3w8o |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.567 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
| Rmerge | 0.106 | 0.040 | 0.358 |
| Rmeas | 0.121 | 0.045 | 0.421 |
| Rpim | 0.056 | 0.020 | 0.217 |
| Total number of observations | 72808 | ||
| Number of reflections | 17415 | ||
| <I/σ(I)> | 8.2 | ||
| Completeness [%] | 98.5 | 98.6 | 99.4 |
| Redundancy | 4.2 | 4.6 | 3.1 |
| CC(1/2) | 0.995 | 0.825 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.91M MgSO4, 50mM MES (pH5.6), 50mM KPi (pH7.0) |
