Mass: 18.015 Da / Num. of mol.: 148 / Source method: isolated from a natural source / Formula: H2O
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Details
Nonpolymer details
HEME (HEM): THE HEME VYNIL GROUP IS COVALENTLY MODIFIED AT THE CBB ATOM. THE MODIFICATION HAS NOT ...HEME (HEM): THE HEME VYNIL GROUP IS COVALENTLY MODIFIED AT THE CBB ATOM. THE MODIFICATION HAS NOT BEEN MODELLED IN THE STRUCTURE.
Sequence details
OUR PROTEIN CONSTRUCT START FROM RESIDUE 12. RESIDUES FROM 129 TO 136 WERE NOT LOCATED IN THE ...OUR PROTEIN CONSTRUCT START FROM RESIDUE 12. RESIDUES FROM 129 TO 136 WERE NOT LOCATED IN THE EXPERIMENTAL MAP.
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 2.18 Å3/Da / Density % sol: 43.62 % / Description: NONE
Crystal grow
Temperature: 277 K / pH: 4.6 / Details: 2.0 M NA-FORMATE, 0.1 M NA-ACETATE PH 4.6, T=277 K
Resolution: 1.53→33.07 Å / Cor.coef. Fo:Fc: 0.98 / Cor.coef. Fo:Fc free: 0.964 / SU B: 4.09 / SU ML: 0.063 / Cross valid method: THROUGHOUT / ESU R: 0.081 / ESU R Free: 0.081 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUES 129-136 WERE NOT LOCATED IN THE EXPERIMENT THE HEME VINYL GROUP WAS COVALENTLY MODIFIED AT THE CBB ATOM. THE MODIFICATION HAS NOT ...Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUES 129-136 WERE NOT LOCATED IN THE EXPERIMENT THE HEME VINYL GROUP WAS COVALENTLY MODIFIED AT THE CBB ATOM. THE MODIFICATION HAS NOT BEEN MODELED IN THE STRUCTURE
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.20917
969
5.1 %
RANDOM
Rwork
0.14044
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obs
0.14384
17851
99.84 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK