8OMZ
Wide inward-open unliganded UraA in complex with a conformation-selective synthetic nanobody
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 87.140, 118.110, 94.930 |
Unit cell angles | 90.00, 100.42, 90.00 |
Refinement procedure
Resolution | 29.530 - 3.500 |
R-factor | 0.2417 |
Rwork | 0.241 |
R-free | 0.25990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xls 1zvh |
RMSD bond length | 0.001 |
RMSD bond angle | 0.387 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX (1.17.1-3660-000) |
Refinement software | PHENIX (1.17.1-3660-000) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.530 | 15.650 | 3.590 |
High resolution limit [Å] | 3.500 | 11.070 | 3.500 |
Rmerge | 0.069 | 0.031 | 0.654 |
Rmeas | 0.072 | 0.032 | 0.681 |
Number of reflections | 23921 | 502 | 1755 |
<I/σ(I)> | 20.67 | 49.92 | 4.64 |
Completeness [%] | 99.7 | 100 | 99.9 |
Redundancy | 13.583 | 11.606 | 13.322 |
CC(1/2) | 1.000 | 1.000 | 0.984 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.4 | 291 | 50 mM Tris, 50 mM magnesium acetate, 34% PEG400, 0.1% benzamidine hydrochloride |