Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-11-16 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 55.833, 73.835, 201.053 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.510 - 2.750 |
R-factor | 0.2229 |
Rwork | 0.218 |
R-free | 0.26610 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.091 |
Data reduction software | xia2 (3.16.0) |
Data scaling software | STARANISO (3.350) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.520 | 3.230 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.166 | 1.536 |
Number of reflections | 15438 | 2202 |
<I/σ(I)> | 9.6 | 1.9 |
Completeness [%] | 91.9 | 69 |
Redundancy | 13.9 | 13.9 |
CC(1/2) | 0.998 | 0.730 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
3 | VAPOR DIFFUSION, SITTING DROP | 293 | 88 mM NaOH, 100 mM Bicine, 11% (w/v) PEG 20,000, 1% (v/v) Dioxane, 10 mM Sarcosine (Crystal 3) |