4QNR
CRYSTAL STRUCTURE OF PSPF(1-265) E108Q MUTANT bound to ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-08-11 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9794 |
Spacegroup name | P 65 |
Unit cell lengths | 113.555, 113.555, 39.510 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.389 - 1.539 |
R-factor | 0.1489 |
Rwork | 0.147 |
R-free | 0.17850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bjw |
RMSD bond length | 0.004 |
RMSD bond angle | 1.014 |
Data reduction software | xia2 |
Data scaling software | SCALA |
Phasing software | PHASER (2.5.2) |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.400 | 4.560 | 1.630 |
High resolution limit [Å] | 1.539 | 3.250 | 1.540 |
Rmerge | 0.047 | 0.033 | 0.645 |
Number of reflections | 43434 | 5733 | 13488 |
<I/σ(I)> | 23.88 | 41.66 | 2.51 |
Completeness [%] | 99.8 | 99.9 | 98.8 |
Redundancy | 9.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 292 | 100mM Bis-Tris pH 8.0, 12-16% MPD, 2M Ammonium formate , VAPOR DIFFUSION, SITTING DROP, temperature 292K |