5J5D
Crystal structure of Dihydrodipicolinate Synthase from Mycobacterium tuberculosis in complex with alpha-ketopimelic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-05-19 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 84.780, 84.780, 83.920 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.781 - 2.400 |
R-factor | 0.1981 |
Rwork | 0.195 |
R-free | 0.25120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xxx |
RMSD bond length | 0.004 |
RMSD bond angle | 0.681 |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER (2.5.1) |
Refinement software | PHENIX ((1.10_2142: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 55.000 | 55.000 | 2.530 |
High resolution limit [Å] | 2.400 | 7.590 | 2.400 |
Rmerge | 0.106 | 0.032 | 0.420 |
Rmeas | 0.114 | ||
Rpim | 0.043 | ||
Total number of observations | 83110 | ||
Number of reflections | 12296 | ||
<I/σ(I)> | 13.7 | ||
Completeness [%] | 98.8 | 99.4 | 97.3 |
Redundancy | 6.8 | 6.3 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293 | 1.34M tri-sodium citrate, 0.1M Tris-HCl |