8HID
HUMAN ERYTHROCYTE CATALSE COMPLEXED WITH BT-Br
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-09-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9780 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 83.466, 140.871, 233.428 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.570 - 2.200 |
R-factor | 0.2269 |
Rwork | 0.225 |
R-free | 0.26530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dgh |
RMSD bond length | 0.003 |
RMSD bond angle | 0.615 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.570 | 2.220 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 139142 | 4286 |
<I/σ(I)> | 15.8 | |
Completeness [%] | 98.6 | |
Redundancy | 6.4 | |
CC(1/2) | 0.997 | 0.890 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1M MES pH6.8, 7% PEG20000 |