4L8K
Crystal structure of a putative peptidase (PARMER_02772) from Parabacteroides merdae ATCC 43184 at 2.26 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Detector technology | CCD |
Collection date | 2012-10-18 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.918401 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.333, 131.213, 129.056 |
Unit cell angles | 90.00, 90.55, 90.00 |
Refinement procedure
Resolution | 29.652 - 2.260 |
R-factor | 0.1617 |
Rwork | 0.159 |
R-free | 0.20610 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 0.990 |
Data reduction software | XDS |
Data scaling software | XSCALE (March 15, 2012) |
Phasing software | SOLVE |
Refinement software | BUSTER-TNT (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.652 | 2.340 | |
High resolution limit [Å] | 2.260 | 4.850 | 2.260 |
Rmerge | 0.105 | 0.036 | 0.613 |
Number of reflections | 65894 | 12961 | 12790 |
<I/σ(I)> | 7.26 | 18.6 | 1.5 |
Completeness [%] | 98.7 | 98.2 | 98.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.2M ammonium dihydrogen phosphate, 50.0% 2-methyl-2,4-pentanediol, 4.0% Polypropylene Glycol P 400, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.2M ammonium dihydrogen phosphate, 50.0% 2-methyl-2,4-pentanediol, 4.0% Polypropylene Glycol P 400, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |