7OSN
IRED361 from Micromonospora sp. in complex with NADP+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 120 |
Detector technology | PIXEL |
Collection date | 2020-09-29 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 50.000, 142.000, 266.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.550 |
Rwork | 0.260 |
R-free | 0.30700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ocm |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.280 | 2.610 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.120 | 0.910 |
Rpim | 0.040 | 0.260 |
Number of reflections | 63163 | 4397 |
<I/σ(I)> | 10.2 | 1.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.9 | 13.4 |
CC(1/2) | 1.000 | 0.970 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.1 M Tris pH 8.5, 20 % PEG 3350 w/v, 0.1 M MgCl2 and 2 mM NADP+ |