8F7U
Macrocyclic Plasmin Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-04-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.710, 50.305, 92.456 |
Unit cell angles | 90.00, 93.11, 90.00 |
Refinement procedure
Resolution | 48.640 - 1.470 |
R-factor | 0.1737 |
Rwork | 0.173 |
R-free | 0.18920 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2-4258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 92.320 | 48.638 | 1.550 |
High resolution limit [Å] | 1.470 | 4.650 | 1.470 |
Rmerge | 0.032 | 0.202 | |
Rmeas | 0.048 | 0.035 | 0.220 |
Rpim | 0.019 | 0.014 | 0.086 |
Total number of observations | 484926 | 15951 | 70130 |
Number of reflections | 76283 | 2525 | 10984 |
<I/σ(I)> | 20.6 | 44 | 6.8 |
Completeness [%] | 99.9 | 99.9 | 99.1 |
Redundancy | 6.4 | 6.3 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 293 | 14% PEG 4000, 90-140 mM Ammonium sulfate, 100 mM MES |