4B5T
Crystal structures of divalent metal dependent pyruvate aldolase, HpaI, in complex with ketobutyrate
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 21 3 |
Unit cell lengths | 151.327, 151.327, 151.327 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.832 - 1.923 |
R-factor | 0.1579 |
Rwork | 0.155 |
R-free | 0.18560 |
Structure solution method | MAD |
Starting model (for MR) | 2v5j |
RMSD bond length | 0.011 |
RMSD bond angle | 1.324 |
Phasing software | PHENIX |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.800 | 2.030 |
High resolution limit [Å] | 1.920 | 1.920 |
Rmerge | 0.030 | 0.240 |
Number of reflections | 87457 | |
<I/σ(I)> | 12.9 | 2.8 |
Completeness [%] | 99.7 | 98.1 |
Redundancy | 23.6 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.5 M AMMONIUM DIHYDROGEN PHOSPHATE, 30% GLYCEROL, 2 MM COCL2 PH 5 |