5C0I
HAL-A02 carrying RQFGPDFPTI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-03-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.700, 79.740, 58.080 |
Unit cell angles | 90.00, 115.67, 90.00 |
Refinement procedure
Resolution | 28.300 - 1.530 |
R-factor | 0.161 |
Rwork | 0.159 |
R-free | 0.19050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3utq |
RMSD bond length | 0.021 |
RMSD bond angle | 2.069 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.16) |
Phasing software | PHASER (2.5.6) |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.300 | 28.300 | 1.570 |
High resolution limit [Å] | 1.530 | 6.850 | 1.530 |
Rmerge | 0.062 | 0.029 | 0.623 |
Rpim | 0.036 | 0.017 | 0.367 |
Total number of observations | 251619 | 3009 | 18766 |
Number of reflections | 68029 | ||
<I/σ(I)> | 12.1 | 32.9 | 2.1 |
Completeness [%] | 99.0 | 97.5 | 98.7 |
Redundancy | 3.7 | 3.8 | 3.7 |
CC(1/2) | 0.998 | 0.998 | 0.818 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2M potassium/sodium tartrate, 0.1M BIS TRIS propane, pH 8.5, 20% PEG 3350 |