6TCB
Crystal structure of protein PA2723 from Pseudomonas aeruginosa PAO1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-06-12 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.0332 |
Spacegroup name | P 1 |
Unit cell lengths | 33.004, 33.028, 41.338 |
Unit cell angles | 93.92, 103.17, 118.33 |
Refinement procedure
Resolution | 39.390 - 1.350 |
R-factor | 0.1507 |
Rwork | 0.150 |
R-free | 0.16460 |
Structure solution method | AB INITIO PHASING |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | Arcimboldo |
Refinement software | PHENIX (1.17rc1_3603) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.390 | 39.390 | 1.370 |
High resolution limit [Å] | 1.350 | 7.390 | 1.350 |
Rmerge | 0.037 | 0.021 | 0.832 |
Rmeas | 0.044 | 0.025 | 1.001 |
Rpim | 0.023 | 0.012 | 0.549 |
Total number of observations | 105451 | 733 | 4731 |
Number of reflections | 30273 | 193 | 1508 |
<I/σ(I)> | 17.7 | 48.4 | 1.7 |
Completeness [%] | 94.0 | 97.5 | 91.7 |
Redundancy | 3.5 | 3.8 | 3.1 |
CC(1/2) | 0.999 | 1.000 | 0.731 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Reservoir solution: 1:10 dilution of 0.2% (w/v) caffeine, cytosine, nicotinamide, gallic acid, tetrasodium pyrophosphate and 0.02 M HEPES pH 6.8 in 19% (w/v) PEG3350 and 0.3 M CaCl2 |