5EE4
The crystal structure of HpuA from Kingella denitrificans in complex with human haemoglobin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-10-06 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.92 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.790, 87.210, 124.320 |
Unit cell angles | 90.00, 98.13, 90.00 |
Refinement procedure
Resolution | 123.070 - 2.300 |
R-factor | 0.2041 |
Rwork | 0.202 |
R-free | 0.24430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ec6 1hho |
RMSD bond length | 0.013 |
RMSD bond angle | 1.504 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.21) |
Phasing software | PHASER (2.5.6) |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 123.071 | 41.101 | 2.420 |
High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
Rmerge | 0.049 | 0.818 | |
Rmeas | 0.191 | ||
Rpim | 0.075 | 0.020 | 0.353 |
Total number of observations | 322547 | 10627 | 46199 |
Number of reflections | 49897 | ||
<I/σ(I)> | 8.6 | 25.8 | 2.1 |
Completeness [%] | 96.9 | 95 | 97.8 |
Redundancy | 6.5 | 6.6 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 277 | 100 mM Hepes, 18 % Peg 4,000, 10 % Isopropanol |