5M6R
Human porphobilinogen deaminase in complex with reaction intermediate
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 | 2015-07-24 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.972422 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 68.910, 81.200, 79.690 |
Unit cell angles | 90.00, 93.01, 90.00 |
Refinement procedure
Resolution | 56.840 - 2.730 |
R-factor | 0.2 |
Rwork | 0.197 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ecr |
RMSD bond length | 0.010 |
RMSD bond angle | 1.140 |
Data reduction software | XDS (VERSION May 1, 2016) |
Data scaling software | Aimless (version 0.5.23) |
Phasing software | MOLREP |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.200 | 2.780 |
High resolution limit [Å] | 2.730 | 2.730 |
Rmerge | 0.194 | 1.377 |
Number of reflections | 22971 | |
<I/σ(I)> | 11.7 | 1.2 |
Completeness [%] | 97.7 | 65.7 |
Redundancy | 9.2 | 3.8 |
CC(1/2) | 0.996 | 0.655 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 294 | 0.1 M Na HEPES pH 7.2, 0.9 M Na dihydrogen phosphate/0.9 M K dihydrogen phosphate |