7EMO
Crystal Structure of HasAp Capturing Iron Tetraphenylporphyrin
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 | 2018-02-06 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 41 |
| Unit cell lengths | 83.969, 83.969, 84.011 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.800 - 1.500 |
| R-factor | 0.1303 |
| Rwork | 0.128 |
| R-free | 0.17110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ell |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.550 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.490 | 48.490 | 1.530 |
| High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
| Rmerge | 0.052 | 0.028 | 0.929 |
| Rmeas | 0.056 | 0.030 | 1.002 |
| Rpim | 0.020 | 0.012 | 0.372 |
| Total number of observations | 690180 | 3709 | 32374 |
| Number of reflections | 93136 | 581 | 4590 |
| <I/σ(I)> | 18.2 | 51.9 | 1.9 |
| Completeness [%] | 100.0 | 96.4 | 99.5 |
| Redundancy | 7.4 | 6.4 | 7.1 |
| CC(1/2) | 0.999 | 0.993 | 0.686 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 293 | 100mM CAPS/NaOH (pH10.5), 1.2M Sodium phosphate monobasic/0.8M pottasium phosphate dibasic, 0.2M lithium sulfate |
