Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1998-01-19 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.0 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 94.620, 94.620, 159.010 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.180 - 2.460 |
R-factor | 0.2326 |
Rwork | 0.229 |
R-free | 0.29620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qo9 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.044 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.180 | 2.543 |
High resolution limit [Å] | 2.455 | 2.455 |
Rmerge | 0.049 | 0.335 |
Rmeas | 0.052 | 0.387 |
Rpim | 0.018 | 0.185 |
Number of reflections | 26803 | 2542 |
<I/σ(I)> | 20.7 | 3.3 |
Completeness [%] | 98.5 | |
Redundancy | 6 | |
CC(1/2) | 0.999 | 0.939 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 292 | 13% MPEG2000, 0.1 M ammonium sulfate, 0.03 M leucine, 0.1 M acetate, pH 4.6 |