8JKP
SP1746 in complex with dTMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-09 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 0.97915 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 68.919, 68.919, 88.332 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.409 - 2.100 |
R-factor | 0.17085 |
Rwork | 0.169 |
R-free | 0.20806 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.320 |
Data reduction software | HKL-2000 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.010 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 14622 | 1183 |
<I/σ(I)> | 50.6 | |
Completeness [%] | 99.9 | |
Redundancy | 19.2 | |
CC(1/2) | 1.000 | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 287.15 | 25% PEG4000, 0.15 M (NH4)2SO4, 0.1 M MES, pH 5.5 |