4HMP
Crystal structure of iron uptake ABC transporter substrate-binding protein PiaA from Streptococcus pneumoniae TIGR4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-01 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97908 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.037, 86.299, 93.532 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.120 - 2.700 |
R-factor | 0.25562 |
Rwork | 0.253 |
R-free | 0.29747 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 0.866 |
Data reduction software | HKL-2000 |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.750 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.245 | |
Number of reflections | 17491 | |
<I/σ(I)> | 4.2 | |
Completeness [%] | 97.8 | 97.2 |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.2 | 289 | 30% PEG 400, 0.1M NaAc, 0.1M CdCl2, pH 5.2, VAPOR DIFFUSION, temperature 289K |