Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.127092 |
Spacegroup name | P 6 2 2 |
Unit cell lengths | 126.524, 126.524, 103.207 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.440 - 1.560 |
R-factor | 0.10375 |
Rwork | 0.102 |
R-free | 0.13422 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4l9z |
RMSD bond length | 0.017 |
RMSD bond angle | 1.840 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.440 | 38.440 | 1.590 |
High resolution limit [Å] | 1.560 | 8.550 | 1.560 |
Rmerge | 0.060 | 0.031 | 0.522 |
Number of reflections | 62486 | ||
<I/σ(I)> | 22.2 | 62 | 2.7 |
Completeness [%] | 91.1 | 80.2 | 79.3 |
Redundancy | 11.1 | 11.4 | 5.9 |
CC(1/2) | 0.999 | 0.998 | 0.845 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M Hepes, pH 7.5, 30 % w/v PEG 400, 0.2 M MgCl2 |