6EWM
Crystal structure of heme free PORPHYROMONAS GINGIVALIS HEME-BINDING PROTEIN HMUY
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-01-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97624 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.334, 42.947, 95.075 |
Unit cell angles | 90.00, 107.87, 90.00 |
Refinement procedure
Resolution | 90.490 - 1.400 |
R-factor | 0.13323 |
Rwork | 0.131 |
R-free | 0.17102 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3h8t |
RMSD bond length | 0.013 |
RMSD bond angle | 1.558 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 90.900 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.014 | 0.520 |
Rpim | 0.010 | 0.430 |
Number of reflections | 86584 | 3231 |
<I/σ(I)> | 5.9 | 2.5 |
Completeness [%] | 100.0 | 74 |
Redundancy | 4.3 | 3.5 |
CC(1/2) | 0.980 | 0.680 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 2.4 M ammonium sulphate, 100 mM MES pH 5.0 |