1VLQ

Crystal structure of Acetyl xylan esterase (TM0077) from Thermotoga maritima at 2.10 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-05-02
Detector	ADSC QUANTUM 315
Spacegroup name	P 1 21 1
Unit cell lengths	152.640, 130.952, 157.815
Unit cell angles	90.00, 118.93, 90.00

Refinement procedure

Resolution	29.560 - 2.100
R-factor	0.18554
Rwork	0.184
R-free	0.22336
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.477
Data reduction software	MOSFLM
Data scaling software	SCALA (4.2))
Phasing software	SHARP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.560	2.210
High resolution limit [Å]	2.100	2.100
Number of reflections	293140
<I/σ(I)>	9.1	2.6
Completeness [%]	93.0	67.2
Redundancy	3.8	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	4.2	293	20% PEG-300, 10% glycerol, 0.1M Phosphate-citrate pH 4.2 0.2 M (NH4)2SO4 4.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	4.2	293	20% PEG-300, 10% glycerol, 0.1M Phosphate-citrate pH 4.2 0.2 M (NH4)2SO4 4.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	4.2	293	20% PEG-300, 10% glycerol, 0.1M Phosphate-citrate pH 4.2 0.2 M (NH4)2SO4 4.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K