6OPL
Human biliverdin IX beta reductase Q14R mutant: NADP complex
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2018-08-24 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.000 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 42.163, 98.145, 125.853 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.697 - 1.370 |
R-factor | 0.233 |
Rwork | 0.232 |
R-free | 0.26170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hdo |
RMSD bond length | 0.011 |
RMSD bond angle | 1.525 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3228: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.980 | 1.390 |
High resolution limit [Å] | 1.370 | 1.370 |
Rmerge | 0.068 | 2.133 |
Number of reflections | 55280 | 2685 |
<I/σ(I)> | 15.6 | |
Completeness [%] | 99.9 | 99.3 |
Redundancy | 6.6 | 4 |
CC(1/2) | 0.999 | 0.317 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | mother liquor: 0.1 M MES monohydrate, 12% w/v PEG20000, 1 M sodium chloride |