4G6H
Crystal structure of NDH with NADH
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-24 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 126.187, 229.588, 111.870 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.150 - 2.262 |
| R-factor | 0.1949 |
| Rwork | 0.193 |
| R-free | 0.22510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4g6g |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.336 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.050 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.830 | 2.250 |
| Number of reflections | 75053 | ||
| Completeness [%] | 71.9 | 100 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 291 | 3.8M potassium formate, 2% w/v Polyethylene glycol monomethyl ether 2000, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
