6EFH
Pyruvate decarboxylase from Kluyveromyces lactis soaked with pyruvamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-07 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.93300 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 172.765, 172.765, 210.083 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.600 - 2.990 |
R-factor | 0.181 |
Rwork | 0.178 |
R-free | 0.26500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vk4 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.465 |
Data reduction software | xia2 (0.5.492-g24d9851b-dials-1.8) |
Data scaling software | Aimless (0.6.3) |
Phasing software | MOLREP (11.6.04) |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.600 | 3.050 |
High resolution limit [Å] | 2.990 | 2.990 |
Rmerge | 0.333 | 1.797 |
Number of reflections | 32279 | 1591 |
<I/σ(I)> | 9 | 1.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 14.4 | 14.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.25 | 281.15 | 2 mg/mL KlPDC in 2 mM MES, 18 mM citrate, pH 6.25, 4 mM thiamine diphosphate, 4 mM magnesium sulfate, 2 mM DTT, 1:1 with mother liquor (18-24% w/v PEG2000/PEG6000), ~25 days at 8 degrees C, soaked for 50 seconds in 2 uL mother liquor + 2 uL 90% v/v PEG400, 200 mM pyruvamide prior to flash freezing |