1VJR
Crystal structure of 4-nitrophenylphosphatase (TM1742) from Thermotoga maritima at 2.40 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-05-22 |
| Detector | ADSC |
| Wavelength(s) | 0.9797, 0.9999, 0.9799 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 93.998, 93.998, 160.365 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.170 - 2.400 |
| R-factor | 0.1653 |
| Rwork | 0.164 |
| R-free | 0.19427 |
| Structure solution method | MAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.427 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (4.2)) |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 94.000 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 28916 | |
| <I/σ(I)> | 14.5 | 2.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.6 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION,SITTING DROP,NANODROP | 6.5 | 273 | 2M sodium chloride, 0.1M MES pH 6.5, 0.1M sodium dihydrogen phosphate, 0.1M potassium dihydrogen phosphate, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 273K |
