4MPL
Crystal structure of BMP9 at 1.90 Angstrom
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-21 |
Detector | ADSC |
Wavelength(s) | 0.9795 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 71.270, 71.270, 145.890 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.170 - 1.900 |
R-factor | 0.2 |
Rwork | 0.199 |
R-free | 0.22370 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.180 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.21) |
Phasing software | PHASER (2.5.2) |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.170 | 40.170 | 2.000 |
High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
Rmerge | 0.036 | 0.752 | |
Number of reflections | 15096 | ||
<I/σ(I)> | 15.6 | 16.7 | 1 |
Completeness [%] | 99.3 | 98.7 | 98.6 |
Redundancy | 7.8 | 6.9 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 0.12M magnesium nitrate, 12% PEG3350, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |