4OHN
Crystal structure of an ABC uptake transporter substrate binding protein from Streptococcus pneumoniae with Bound Histidine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-01-01 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.28756 |
Spacegroup name | P 61 |
Unit cell lengths | 87.125, 87.125, 70.949 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.310 - 1.370 |
R-factor | 0.1377 |
Rwork | 0.137 |
R-free | 0.15270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2q2c |
RMSD bond length | 0.009 |
RMSD bond angle | 1.230 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.1.29) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.120 | 37.120 | 1.420 |
High resolution limit [Å] | 1.370 | 5.310 | 1.370 |
Rmerge | 0.080 | 0.052 | 0.683 |
Total number of observations | 13090 | 41332 | |
Number of reflections | 64061 | ||
<I/σ(I)> | 16.4 | 35.6 | 2.7 |
Completeness [%] | 99.7 | 99.8 | 98 |
Redundancy | 10.8 | 11.3 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | PEG 8K 30% w/v Na Acetate 0.2M Bis-Tris 0.1M, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |