5ZEQ
Carboxypeptidase B in complex with DD28
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-12-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 78.860, 78.860, 100.040 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.710 - 1.900 |
R-factor | 0.1547 |
Rwork | 0.152 |
R-free | 0.20350 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.896 |
Data reduction software | iMOSFLM (7.1.1) |
Data scaling software | SCALA (3.3.16) |
Phasing software | REFMAC (5.8.0103) |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.040 | 48.707 | 2.000 |
High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
Rmerge | 0.040 | 0.335 | |
Rmeas | 0.091 | 0.047 | 0.393 |
Rpim | 0.047 | 0.024 | 0.203 |
Total number of observations | 172430 | ||
Number of reflections | 48008 | 1528 | 6988 |
<I/σ(I)> | 12 | 15.9 | 2.3 |
Completeness [%] | 99.6 | 97.4 | 100 |
Redundancy | 3.6 | 3.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 296 | 100mM sodium cacodylate (pH 5.3-6.8), 100mM zinc acetate, 5-15% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 296K |