1EYE
1.7 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF 6-HYDROXYMETHYL-7,8-DIHYDROPTEROATE SYNTHASE (DHPS) FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH 6-HYDROXYMETHYLPTERIN MONOPHOSPHATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 140 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-07-04 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 62.900, 62.900, 121.400 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| R-factor | 0.185 |
| Rwork | 0.185 |
| R-free | 0.24300 |
| RMSD bond length | 0.010 * |
| RMSD bond angle | 2.000 * |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | AMoRE |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.500 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.043 | 0.177 |
| Total number of observations | 136341 * | |
| Number of reflections | 25211 | |
| <I/σ(I)> | 32.411 | |
| Completeness [%] | 80.5 | 69.9 |
| Redundancy | 5.4 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 25 * | PEG 4000, Sodium Acetate, Ammonium Acetate, para-aminosalicylic acid, 6-hydroxymethl pterin monophosphate, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | sodium acetate | 100 (mM) | |
| 2 | 1 | reservoir | ammonium acetate | 200 (mM) | |
| 3 | 1 | reservoir | PEG4000 | 30 (%(w/v)) | |
| 4 | 1 | reservoir | PtP | 3 (mM) | |
| 5 | 1 | reservoir | pABA | 3 (mM) |
