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 | 2015-05-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9796 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 95.660, 95.960, 97.930 |
Unit cell angles | 90.00, 92.15, 90.00 |
Refinement procedure
Resolution | 29.187 - 2.624 |
R-factor | 0.2791 |
Rwork | 0.278 |
R-free | 0.30090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sqd |
RMSD bond length | 0.003 |
RMSD bond angle | 0.619 |
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 | 2.770 |
High resolution limit [Å] | 2.620 | 2.620 |
Rmerge | 0.571 | 1.687 |
Number of reflections | 52627 | 7642 |
<I/σ(I)> | 9.72 | |
Completeness [%] | 99.1 | 98.9 |
Redundancy | 3.7 | 3.6 |
CC(1/2) | 0.764 | 0.429 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291.16 | 0.1M NaAc at pH 4.5, 0.1M NaCl, 40% PEG 400 |