8X1W
CYP725A4 apo structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2021-01-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | I 4 3 2 |
Unit cell lengths | 196.020, 196.020, 196.020 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.670 - 2.100 |
Rwork | 0.238 |
R-free | 0.26220 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond angle | 14.628 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.670 | 2.175 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 35473 | 3677 |
<I/σ(I)> | 45.9 | 2.7 |
Completeness [%] | 94.3 | |
Redundancy | 75.5 | |
CC(1/2) | 1.000 | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 1.6M sodium citrate, pH6.5 |