3NTN
Crystal Structure of UspA1 head and neck domain from Moraxella catarrhalis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.295, 142.847, 50.268 |
| Unit cell angles | 90.00, 119.96, 90.00 |
Refinement procedure
| Resolution | 71.420 - 2.200 |
| R-factor | 0.1852 |
| Rwork | 0.182 |
| R-free | 0.24370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB entries 3LAA 3emo 1p9h |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.680 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 100.000 | 100.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
| Rmerge | 0.086 | 0.031 | 0.552 |
| Number of reflections | 30697 | ||
| <I/σ(I)> | 9.2 | ||
| Completeness [%] | 98.5 | 99.5 | 93.9 |
| Redundancy | 3.4 | 3.7 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | PEG, Tris, Ammonium Sulphate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
