3ZZF
Crystal structure of the amino acid kinase domain from Saccharomyces cerevisiae acetylglutamate kinase complexed with its substrate N- acetylglutamate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-25 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.701, 99.299, 190.644 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.200 |
R-factor | 0.1807 |
Rwork | 0.179 |
R-free | 0.21812 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | STARTING MODEL WAS A LOW RESOLUTION INCOMPLETE MODEL FROM A SE-MET SUBSTITUTED CRYSTAL |
RMSD bond length | 0.008 |
RMSD bond angle | 1.038 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.970 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.120 | 0.400 |
Number of reflections | 67865 | |
<I/σ(I)> | 5 | 1.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 15 | 15.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.6 | PROTEIN WAS CRYSTALLIZED IN 50 MM NA-ACETATE, PH 4.6, 0.2 M NA-MALONATE AND 2% PEG 8000,, CONTAINING 24MM N-ACETYLGLUTAMATE; PREVIOUS TO FREEZING, CRYSTAL WAS SOAKED IN 2 MM HGCL2 AND 25% GLYCEROL AS CRYOPROTECTOR |