5LU6

Heptose isomerase mutant - H64Q

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-16
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97950
Spacegroup name	P 21 21 21
Unit cell lengths	73.610, 84.610, 127.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.310 - 1.670
R-factor	0.19104
Rwork	0.189
R-free	0.22599
RMSD bond length	0.019
RMSD bond angle	1.792
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall
Low resolution limit [Å]	63.700
High resolution limit [Å]	1.670
Number of reflections	1322870
<I/σ(I)>	7.4
Completeness [%]	88.6
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		277	untagge GmhA 10 mg per ml 0.1 M Na Acetate, pH 4.6, 8% PEG 4000