6M5E
Human serum albumin with cyclic peptide dalbavancin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32XU |
Synchrotron site | SPring-8 |
Beamline | BL32XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-30 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 197.050, 125.680, 125.740 |
Unit cell angles | 90.00, 90.32, 90.00 |
Refinement procedure
Resolution | 45.780 - 2.800 |
R-factor | 0.1824 |
Rwork | 0.180 |
R-free | 0.22760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ao6 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.17) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.780 | 45.780 | 2.970 |
High resolution limit [Å] | 2.800 | 8.400 | 2.800 |
Rmerge | 0.468 | 0.100 | 4.561 |
Rmeas | 0.479 | 0.102 | 4.670 |
Total number of observations | 1661847 | ||
Number of reflections | 75497 | 2866 | 12153 |
<I/σ(I)> | 9.27 | 39.16 | 1.02 |
Completeness [%] | 100.0 | 99.3 | 100 |
Redundancy | 22.012 | 23.466 | 21.464 |
CC(1/2) | 0.993 | 0.998 | 0.504 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M Sodium citrate tribasic dihydrate pH 5.0 30 % v/v Jeffamine ED-2001 pH 7.0 |