1PMH

Crystal structure of Caldicellulosiruptor saccharolyticus CBM27-1 in complex with mannohexaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2003-01-30
Detector	MARRESEARCH
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	38.281, 45.700, 110.113
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.000 - 1.060
R-factor	0.14287
Rwork	0.141
R-free	0.17290
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	2.070
Data scaling software	XDS
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.090
High resolution limit [Å]	1.060	1.060
Number of reflections	81658
<I/σ(I)>	34.6
Completeness [%]	89.8	74.7
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	283.15	PEG4000, Isopropanol, Na-Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 283.15K
1	VAPOR DIFFUSION, HANGING DROP	7.5	283.15	PEG4000, Isopropanol, Na-Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 283.15K