3MGZ
Crystal structure of DHBPS domain of bi-functional DHBPS/GTP cyclohydrolase II from Mycobacterium tuberculosis at pH 4.0
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 | 2010-02-24 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 61 |
Unit cell lengths | 66.085, 66.085, 88.188 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.930 - 2.070 |
R-factor | 0.19 |
Rwork | 0.188 |
R-free | 0.23773 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1g57 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.547 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.130 |
High resolution limit [Å] | 2.060 | 2.060 |
Rmerge | 0.048 | 0.179 |
Number of reflections | 13576 | |
<I/σ(I)> | 33.9 | 9.9 |
Completeness [%] | 98.8 | 88.9 |
Redundancy | 6 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293 | 25% PEG 4000, 0.2M (NH4)2SO4, 0.1M Na Acetate, pH 4.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |