5YRX
Crystal structure of a hypothetical protein Rv3716c from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2017-07-02 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 35.110, 183.750, 37.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.000 - 1.900 |
R-factor | 0.17423 |
Rwork | 0.172 |
R-free | 0.21594 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ybx |
RMSD bond length | 0.024 |
RMSD bond angle | 2.282 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.250 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.080 | 0.227 |
Rmeas | 0.086 | 0.244 |
Rpim | 0.025 | 0.091 |
Number of reflections | 9968 | 625 |
<I/σ(I)> | 24.6 | 12.1 |
Completeness [%] | 99.9 | 100 |
Redundancy | 13.7 | 13.5 |
CC(1/2) | 0.997 | 0.985 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 5.5 | 293 | 20mM Sodium phosphate pH 5.5 0.1M Cadmium chloride 0.1M Magnesium chloride 0.1M Nickel chloride 24% PEG 4000 |