7ULB
recombinant Mambalgin-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-07-31 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 30.984, 80.753, 54.032 |
| Unit cell angles | 90.00, 90.47, 90.00 |
Refinement procedure
| Resolution | 25.420 - 2.490 |
| R-factor | 0.2225 |
| Rwork | 0.217 |
| R-free | 0.26660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5du1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.165 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.940 | 2.579 |
| High resolution limit [Å] | 2.439 | 2.490 |
| Rmerge | 0.046 | |
| Rmeas | 0.070 | |
| Number of reflections | 8923 | 880 |
| <I/σ(I)> | 19.58 | |
| Completeness [%] | 94.7 | |
| Redundancy | 5.8 | |
| CC(1/2) | 0.978 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | rec-Mambalgin-1(122 mg/ml in 200 mM NH4Ac (pH 7.0)), 1:1 (v/v) with 0.1 M HEPES, pH 7.0, 32% Jeffamine M600, 0.1 M KSCN, 18 degree centigrade |
