3LB5
Crystal structure of Hit-like protein involved in cell-cycle regulation from Bartonella henselae with unknown ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-29 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 91.710, 97.920, 111.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.470 - 1.900 |
| R-factor | 0.184 |
| Rwork | 0.182 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3imi |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.325 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.075 | 0.498 |
| Number of reflections | 75981 | 5338 |
| <I/σ(I)> | 17.36 | 2.3 |
| Completeness [%] | 99.1 | 94.4 |
| Redundancy | 6 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 289 | PACT screen condition B8, 0.2 M ammonium chloride, 0.1 M MES pH 6.0, 20% PEG 6000, 25% EG as cryo-protectant; crystal tracking ID 202910b8; tag not removed prior to crystallization, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
