6Y9T
Family GH13_31 enzyme
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-11-03 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.999870 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.210, 105.300, 92.230 |
Unit cell angles | 90.00, 96.95, 90.00 |
Refinement procedure
Resolution | 50.010 - 2.780 |
R-factor | 0.2625 |
Rwork | 0.258 |
R-free | 0.33650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uok |
RMSD bond length | 0.012 |
RMSD bond angle | 1.561 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.010 | 2.950 |
High resolution limit [Å] | 2.780 | 2.780 |
Rmeas | 0.197 | |
Number of reflections | 34239 | 4768 |
<I/σ(I)> | 8.01 | |
Completeness [%] | 97.3 | |
Redundancy | 5.1 | |
CC(1/2) | 0.994 | 0.598 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | Protein at 3.6 mg mL-1 in 10 mM MES, pH 6.5, 10 mM NaCl, and 0.5 mM CaCl2. Reservoir: 0.02M each of sodium L-glutamate, DL-alanine, glycine, DL-lysine HCl, DL-serine; buffer system 3 pH 8.5 (0.1 M Bicine and 0.1 M Trizma base), 240% v/v PEG 500 MME; 120% w/v PEG 20000, pH 8.5 (from Morpheus screen) 1:1 protein:reservoir droplet (0.3 ul) |