3H8U
Crystal structure of uncharacterized conserved protein with double-stranded beta-helix domain (YP_001338853.1) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.80 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-12 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.94645,0.97965 |
Spacegroup name | P 32 |
Unit cell lengths | 46.850, 46.850, 94.940 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.953 - 1.800 |
R-factor | 0.154 |
Rwork | 0.152 |
R-free | 0.19600 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.509 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 24.953 | 24.953 | 1.860 |
High resolution limit [Å] | 1.800 | 3.870 | 1.800 |
Rmerge | 0.065 | 0.033 | 0.491 |
Number of reflections | 21525 | 4311 | 3759 |
<I/σ(I)> | 7.1 | 17.3 | 1.44 |
Completeness [%] | 96.6 | 98.1 | 92.7 |
Redundancy | 2.86 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 1.7000M (NH4)2SO4, 15.0000% Glycerol, 1.7000% PEG-400, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |