7E7N
Crystal structure of RSL mutant-R17A/R108A/R199A in complex with R3F
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-06-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979183 |
Spacegroup name | P 1 |
Unit cell lengths | 44.300, 45.635, 46.844 |
Unit cell angles | 94.12, 117.04, 117.20 |
Refinement procedure
Resolution | 39.040 - 1.550 |
R-factor | 0.1731 |
Rwork | 0.172 |
R-free | 0.20040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4csd |
RMSD bond length | 0.018 |
RMSD bond angle | 2.227 |
Data reduction software | autoPROC |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.040 | 39.040 | 1.590 |
High resolution limit [Å] | 1.500 | 4.760 | 1.500 |
Rmerge | 0.043 | 0.026 | 0.480 |
Rmeas | 0.051 | 0.031 | 0.565 |
Rpim | 0.027 | 0.016 | 0.296 |
Total number of observations | 143079 | 4501 | 21138 |
Number of reflections | 40510 | 1292 | 5914 |
<I/σ(I)> | 14.2 | 37.2 | 2.6 |
Completeness [%] | 93.8 | 94.9 | 93.6 |
Redundancy | 3.5 | 3.5 | 3.6 |
CC(1/2) | 0.999 | 0.998 | 0.882 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SMALL TUBES | 7.5 | 277 | 20 mM Tris-HCl, 100 mM of NaCl pH 7.5, Micro centrifuge tube sequentially put with RSL solution, pure buffer, the ligand solution |