4UZU

Three-dimensional structure of a variant `Termamyl-like' Geobacillus stearothermophilus alpha-amylase at 1.9 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	120
Collection date	2009-10-26
Spacegroup name	I 41 2 2
Unit cell lengths	108.180, 108.180, 181.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	92.920 - 1.900
R-factor	0.17196
Rwork	0.170
R-free	0.21029
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hvx
RMSD bond length	0.014
RMSD bond angle	1.437
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.210	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.120	0.520
Number of reflections	42693
<I/σ(I)>	17.6	5.4
Completeness [%]	100.0	100
Redundancy	14.7	14.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				65% MPD, 0.1 M HEPES PH 8.2