3DL1
Crystal structure of a Putative Metal-dependent Hydrolase (YP_001336084.1) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 2.20 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-06-16 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 131.050, 131.050, 37.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.311 - 2.200 |
R-factor | 0.172 |
Rwork | 0.171 |
R-free | 0.20200 |
Structure solution method | SAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.375 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.311 | 29.310 | 2.260 |
High resolution limit [Å] | 2.200 | 9.840 | 2.200 |
Rmerge | 0.081 | 0.047 | 0.678 |
Total number of observations | 1220 | 8841 | |
Number of reflections | 17061 | ||
<I/σ(I)> | 5.9 | 13.3 | 1.1 |
Completeness [%] | 99.9 | 95.2 | 100 |
Redundancy | 7.1 | 5.3 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 1.0000M (NH4)2HPO4, 0.2000M NaCl, 0.1M Imidazole pH 8.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |