5LU5

A quantum half-site enzyme

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, 83.810, 126.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.390 - 1.550
R-factor	0.1624
Rwork	0.161
R-free	0.18720
RMSD bond length	0.006
RMSD bond angle	1.031
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]	63.400
High resolution limit [Å]	1.550
Number of reflections	113107
<I/σ(I)>	17.5
Completeness [%]	99.5
Redundancy	6.3

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