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 | 2015-01-31 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 95.571, 95.571, 198.813 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.752 - 2.400 |
R-factor | 0.2595 |
Rwork | 0.258 |
R-free | 0.29360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sp9 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.017 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.440 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.213 | 1.180 |
Number of reflections | 37032 | 1790 |
<I/σ(I)> | 21.7 | |
Completeness [%] | 99.8 | 98.8 |
Redundancy | 11.7 | 6.9 |
CC(1/2) | 0.991 | 0.695 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 291 | 0.1M NaAc pH 5.0, 0.1M NaCl, 35% PEG 400 |