4M3K
Structure of a single domain camelid antibody fragment cAb-H7S in complex with the BlaP beta-lactamase from Bacillus licheniformis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98011 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.818, 42.940, 74.818 |
| Unit cell angles | 90.00, 105.29, 90.00 |
Refinement procedure
| Resolution | 36.900 - 1.480 |
| R-factor | 0.16292 |
| Rwork | 0.161 |
| R-free | 0.19470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.675 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.940 | 1.560 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.040 | 0.550 |
| Number of reflections | 52300 | |
| <I/σ(I)> | 16.9 | 2.3 |
| Completeness [%] | 98.9 | 95.4 |
| Redundancy | 3.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 uL 0.2 M (NH4)Cl 20 % PEG3350 + 0.2 uL complex 14.2 mg/ml 20 mM tris, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
