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 |