2QPX
Crystal structure of putative metal-dependent hydrolase (YP_805737.1) from Lactobacillus casei ATCC 334 at 1.40 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-01 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837, 0.97917, 0.97891 |
Spacegroup name | I 2 3 |
Unit cell lengths | 142.170, 142.170, 142.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.025 - 1.400 |
R-factor | 0.135 |
Rwork | 0.134 |
R-free | 0.16200 |
Structure solution method | MAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.543 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.025 | 29.025 | 1.450 |
High resolution limit [Å] | 1.400 | 3.010 | 1.400 |
Rmerge | 0.067 | 0.011 | 0.011 |
Number of reflections | 93379 | 18383 | 18055 |
<I/σ(I)> | 16.16 | 59.9 | 1.7 |
Completeness [%] | 99.8 | 99.7 | 98.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | NANODROP, 1.0M LiCl, 20.0% PEG 6000, 0.1M HEPES pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |