5JAB
Structure of the biliverdin reductase Rv2074 from Mycobacterium tuberculosis in complex with F420
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-07-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 61.756, 88.620, 98.625 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.920 - 1.650 |
R-factor | 0.1801 |
Rwork | 0.178 |
R-free | 0.21660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2asf |
RMSD bond length | 0.019 |
RMSD bond angle | 1.962 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER (2.5.6) |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 65.920 | 65.920 | 1.680 |
High resolution limit [Å] | 1.650 | 9.040 | 1.650 |
Rmerge | 0.181 | 0.094 | 1.261 |
Number of reflections | 65830 | ||
<I/σ(I)> | 9.3 | ||
Completeness [%] | 100.0 | 98.6 | 99.9 |
Redundancy | 7.1 | 5.9 | 6.7 |
CC(1/2) | 0.994 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 292.15 | 27% PEG3350, 0.2M MgCl2, 0.1 M BisTris |