7BBM
Mutant nitrobindin M75L/H76L/Q96C/M148L (NB4H) from Arabidopsis thaliana with cofactor MnPPIX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-09-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.976253 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 59.900, 79.547, 36.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.770 - 1.140 |
R-factor | 0.1451 |
Rwork | 0.144 |
R-free | 0.15810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wjb |
RMSD bond length | 0.012 |
RMSD bond angle | 1.339 |
Data reduction software | XDS (20200417) |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.19rc5_4047) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.774 | 39.774 | 1.157 |
High resolution limit [Å] | 1.137 | 3.087 | 1.137 |
Rmerge | 0.075 | 0.062 | 1.037 |
Rmeas | 0.078 | 0.064 | 1.088 |
Rpim | 0.022 | 0.018 | 0.325 |
Number of reflections | 64928 | 3490 | 3190 |
<I/σ(I)> | 14.5 | 37.595 | 2.164 |
Completeness [%] | 99.9 | 99.77 | 100 |
Redundancy | 12.2 | 11.72 | 10.93 |
CC(1/2) | 0.998 | 0.997 | 0.811 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 8.6 | 285.15 | 1:1 mixture (2 uL total volume) of protein (20 mg/mL) and precipitant solution containing 100 mM Tris/HCl pH 8.6, 18 % (w/v) PEG 2000; 30% (v/v) Ethylene glycol were added as cryo-protectant before harvesting and flash freezing in liquid nitrogen. |