Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-08-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 93.848, 140.475, 133.180 |
Unit cell angles | 90.00, 104.39, 90.00 |
Refinement procedure
Resolution | 43.250 - 2.980 |
R-factor | 0.2355 |
Rwork | 0.234 |
R-free | 0.26400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5iva |
RMSD bond length | 0.011 |
RMSD bond angle | 1.271 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.250 | 3.090 |
High resolution limit [Å] | 2.980 | 2.980 |
Number of reflections | 66447 | 6661 |
<I/σ(I)> | 7.3 | |
Completeness [%] | 97.3 | |
Redundancy | 5 | |
CC(1/2) | 0.920 | 0.672 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 289 | 175 mM citric acid/Bis-Tris (pH 5.0), 17% (v/v) PEG3350 and 3% methanol (as additive) |