4HKG
Crystal Structure of Free-Standing Peptidyl Carrier Protein from Uncharacterized Acinetobacter baumannii Secondary Metabolic Pathway
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-01-14 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 65 |
| Unit cell lengths | 61.811, 61.811, 76.848 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.215 - 1.300 |
| R-factor | 0.1501 |
| Rwork | 0.149 |
| R-free | 0.16750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2afd model 1 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.000 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.4.1) |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.320 |
| High resolution limit [Å] | 1.300 | 3.530 | 1.300 |
| Rmerge | 0.060 | 0.031 | 0.572 |
| Number of reflections | 40576 | ||
| <I/σ(I)> | 19.3 | ||
| Completeness [%] | 99.1 | 99.1 | 93.4 |
| Redundancy | 10.3 | 8.5 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 277 | 25% PEG400, 5% MPD, 50 mM CHES (pH 9), VAPOR DIFFUSION, HANGING DROP, temperature 277K |
