5IQW
1.95A resolution structure of Apo HasAp (R33A) from Pseudomonas aeruginosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-10-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 92.781, 92.781, 95.714 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.309 - 1.950 |
R-factor | 0.1865 |
Rwork | 0.185 |
R-free | 0.21160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ell |
RMSD bond length | 0.010 |
RMSD bond angle | 1.140 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.21) |
Phasing software | PHASER (2.5.2) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.860 | 47.860 | 2.000 |
High resolution limit [Å] | 1.950 | 8.940 | 1.950 |
Rmerge | 0.079 | 0.035 | 1.771 |
Number of reflections | 31128 | ||
<I/σ(I)> | 21.2 | ||
Completeness [%] | 100.0 | 99.4 | 100 |
Redundancy | 12.9 | 10.3 | 13.2 |
CC(1/2) | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 1.0 M sodium acetate trihydrate, 0.1 M HEPES, 0.05 M Cd(SO4) hydrate |