1PMJ

Crystal structure of Caldicellulosiruptor saccharolyticus CBM27-1

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	2003-02-13
Detector	MARRESEARCH
Wavelength(s)	0.97626
Spacegroup name	P 41 21 2
Unit cell lengths	54.988, 54.988, 115.777
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.600 - 1.550
R-factor	0.12779
Rwork	0.124
R-free	0.17388
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pmh CBM27-1 in complex with mannohexaose
RMSD bond length	0.014
RMSD bond angle	1.544
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.600	1.590
High resolution limit [Å]	1.550	1.550
Number of reflections	26236
<I/σ(I)>	13.6
Completeness [%]	98.6	98.3
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	283.15	Peg 4000, Isopropanol, Na-Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 283.15K