4ZNZ
Crystal structure of Escherichia coli carbonic anhydrase (YadF) in complex with Zn - artifact of purification
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 | 2013-06-20 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.27822 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 67.909, 67.909, 84.930 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.700 |
R-factor | 0.1534 |
Rwork | 0.149 |
R-free | 0.25750 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.591 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.750 |
High resolution limit [Å] | 2.700 | 7.320 | 2.700 |
Rmerge | 0.122 | 0.039 | 0.926 |
Rmeas | 0.130 | 0.042 | 0.988 |
Rpim | 0.045 | 0.015 | 0.338 |
Total number of observations | 44824 | ||
Number of reflections | 5527 | ||
<I/σ(I)> | 6.5 | 1.8 | |
Completeness [%] | 93.6 | 86.6 | 95.8 |
Redundancy | 8.1 | 7.3 | 8.1 |
CC(1/2) | 0.998 | 0.752 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.3 ul of 7.4 mg/ml protein in 50 mM TRIS pH 7.9, 200 mM NaCl and 0.5 mM TCEP were mixed with the 0.3 ul of SaltRx condition #96 (60% v/v Tacsimate pH 7.0 and 0.1 M BIS-TRIS propane pH 7.0) and equilibrated against SaltRx condition #96 solution in 96 Well 3 drop Crystallization Plate (Swissci) |