5LU7

Heptose isomerase GmhA mutant - D61A

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	73.200, 83.680, 126.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.542 - 1.920
R-factor	0.1725
Rwork	0.170
R-free	0.21480
RMSD bond length	0.007
RMSD bond angle	1.047
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.330
High resolution limit [Å]	1.920
Number of reflections	59277
<I/σ(I)>	17.3
Completeness [%]	99.8
Redundancy	5.5

Crystallization Conditions

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