3UZJ
Designed protein KE59 R13 3/11H with benzotriazole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-04 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.8726 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 95.922, 123.762, 45.642 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.823 - 1.690 |
R-factor | 0.19807 |
Rwork | 0.196 |
R-free | 0.23588 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3uyc |
RMSD bond length | 0.027 |
RMSD bond angle | 2.151 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.823 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.080 | 0.505 |
Number of reflections | 64919 | |
<I/σ(I)> | 14.8 | 1.6 |
Completeness [%] | 97.9 | 86.4 |
Redundancy | 3.2 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.2 M potassium cyanide, 0.1 M Bis-Tris propane, pH 7.5, 20% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 277K |