5EE2
The crystal structure of the C-terminal beta-barrel of HpuA from Neisseria gonorrhoeae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-09 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | H 3 |
| Unit cell lengths | 61.920, 61.920, 92.241 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.360 - 1.950 |
| R-factor | 0.1808 |
| Rwork | 0.178 |
| R-free | 0.23030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5EC6 residues 168-322 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.384 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.360 | 30.960 | 2.060 |
| High resolution limit [Å] | 1.950 | 6.170 | 1.950 |
| Rmerge | 0.035 | 0.540 | |
| Rmeas | 0.096 | ||
| Rpim | 0.047 | 0.020 | 0.314 |
| Total number of observations | 38137 | 1219 | 5362 |
| Number of reflections | 9586 | ||
| <I/σ(I)> | 9.1 | 20.6 | 2.3 |
| Completeness [%] | 99.8 | 98.5 | 99.9 |
| Redundancy | 4 | 4 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 291 | 100 mM Hepes, 1.6 M ammonium sulfate, 0.8 % Peg 400, 200 mM sodium thiocyanate |
