Mass: 18.015 Da / Num. of mol.: 130 / Source method: isolated from a natural source / Formula: H2O
Sequence details
THE FIRST 5 RESIDUES IN CHAIN A (MNNRN) AND 6 RESIDUES IN CHAIN B (MNNRNH) ARE DISORDERED. RESIDUES ...THE FIRST 5 RESIDUES IN CHAIN A (MNNRN) AND 6 RESIDUES IN CHAIN B (MNNRNH) ARE DISORDERED. RESIDUES 99 (Q) AND 572- 577 (AEADRQ) IN CHAIN A ARE DISORDERED. IN CHAIN B RESIDUES 98-99 (AQ) AND 573-576 (EADR) ARE DISORDERED. IN BOTH CHAINS RESIDUE 588-620 ( GHAVQHGSEVQHDERRHGDVRHEEARHGEVQHG) ARE DISORDERED.
-
Experimental details
-
Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
-
Sample preparation
Crystal
Density Matthews: 2.15 Å3/Da / Density % sol: 43 % / Description: NONE
Crystal grow
Method: vapor diffusion, hanging drop / pH: 7.8 Details: 26%PEG8000, 0.1M TRIS-HCL PH7.8, 300MM SODIUM CITRATE ACSD WAS INCUBATED WITH 2 MM ATP-GAMMA-S (SIGMA A1388) FOR 10 MIN (RT). 3UL ACSD (6MG/ML) AND EQUAL AMOUNT OF PRECIPITANT WERE INCUBATED ...Details: 26%PEG8000, 0.1M TRIS-HCL PH7.8, 300MM SODIUM CITRATE ACSD WAS INCUBATED WITH 2 MM ATP-GAMMA-S (SIGMA A1388) FOR 10 MIN (RT). 3UL ACSD (6MG/ML) AND EQUAL AMOUNT OF PRECIPITANT WERE INCUBATED IN CONVENTIONAL HANGING DROP PLATES.
Monochromator: SINGLE CRYSTAL SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9803 Å / Relative weight: 1
Reflection
Resolution: 2.8→81.6 Å / Num. obs: 30736 / % possible obs: 99.4 % / Observed criterion σ(I): 2 / Redundancy: 4.2 % / Rmerge(I) obs: 0.16 / Net I/σ(I): 10.6
Reflection shell
Resolution: 2.8→2.95 Å / Redundancy: 4.3 % / Rmerge(I) obs: 0.41 / Mean I/σ(I) obs: 3 / % possible all: 99.9
-
Processing
Software
Name
Version
Classification
REFMAC
5.2.0019
refinement
MOSFLM
datareduction
SCALA
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: APO STRUCTURE OF ACSD Resolution: 2.8→81.65 Å / Cor.coef. Fo:Fc: 0.91 / Cor.coef. Fo:Fc free: 0.832 / SU B: 35.931 / SU ML: 0.34 / Cross valid method: THROUGHOUT / ESU R Free: 0.454 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.28
1513
4.9 %
RANDOM
Rwork
0.202
-
-
-
obs
0.206
29085
98.9 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK