7EMR
Crystal Structure of HasAp Capturing Cobalt Tetraphenylporphyrin
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 | 2018-12-18 |
Detector | RAYONIX MX225-HS |
Wavelength(s) | 1.000 |
Spacegroup name | P 41 |
Unit cell lengths | 85.060, 85.060, 84.087 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.550 |
R-factor | 0.1331 |
Rwork | 0.132 |
R-free | 0.16350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ell |
RMSD bond length | 0.008 |
RMSD bond angle | 1.430 |
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] | 48.920 | 48.920 | 1.580 |
High resolution limit [Å] | 1.550 | 8.490 | 1.550 |
Rmerge | 0.070 | 0.041 | 1.626 |
Rmeas | 0.073 | 0.043 | 1.701 |
Rpim | 0.019 | 0.012 | 0.493 |
Total number of observations | 1295135 | 7340 | 50730 |
Number of reflections | 86763 | 548 | 4317 |
<I/σ(I)> | 22 | 62 | 1.7 |
Completeness [%] | 100.0 | 97.5 | 100 |
Redundancy | 14.9 | 13.4 | 11.8 |
CC(1/2) | 1.000 | 0.998 | 0.589 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 293 | 100mM CAPS/NaOH (pH 10.5), 1.2M Sodium phosphate monobasic/0.8M pottasium phosphate dibasic, 0.2M lithium sulfate |